434:
relaxation is complete, the average magnetization vector has not decayed to ground state, which affects the strength of the signal in an unpredictable manner. In practice, the peak areas are then not proportional to the stoichiometry; only the presence, but not the amount of functional groups is possible to discern. An inversion recovery experiment can be done to determine the relaxation time and thus the required delay between pulses. A 180° pulse, an adjustable delay, and a 90° pulse is transmitted. When the 90° pulse exactly cancels out the signal, the delay corresponds to the time needed for 90° of relaxation. Inversion recovery is worthwhile for quantitative C, D and other time-consuming experiments.
806:
termed magnetically inequivalent. For example, the 4 H sites of 1,2-dichlorobenzene divide into two chemically equivalent pairs by symmetry, but an individual member of one of the pairs has different couplings to the spins making up the other pair. Magnetic inequivalence can lead to highly complex spectra which can only be analyzed by computational modeling. Such effects are more common in NMR spectra of aromatic and other non-flexible systems, while conformational averaging about C−C bonds in flexible molecules tends to equalize the couplings between protons on adjacent carbons, reducing problems with magnetic inequivalence.
629:) between NMR active nuclei. This coupling arises from the interaction of different spin states through the chemical bonds of a molecule and results in the splitting of NMR signals. For a proton, the local magnetic field is slightly different depending on whether an adjacent nucleus points towards or against the spectrometer magnetic field, which gives rise to two signals per proton instead of one. These splitting patterns can be complex or simple and, likewise, can be straightforwardly interpretable or deceptive. This coupling provides detailed insight into the connectivity of atoms in a molecule.
1579:
1081:. The analysis of carbohydrates by 1H NMR is challenging due to the limited variation in functional groups, which leads to 1H resonances concentrated in narrow bands of the NMR spectrum. In other words, there is poor spectral dispersion. The anomeric proton resonances are segregated from the others due to fact that the anomeric carbons bear two oxygen atoms. For smaller carbohydrates, the dispersion of the anomeric proton resonances facilitates the use of 1D TOCSY experiments to investigate the entire spin systems of individual carbohydrate residues.
460:). ΔE is also sensitive to electronic environment of the nucleus giving rise to what is known as the chemical shift, δ. The simplest types of NMR graphs are plots of the different chemical shifts of the nuclei being studied in the molecule. The value of δ is often expressed in terms of "shielding": shielded nuclei have higher ΔE. The range of δ values is called the dispersion. For H signals, the dispersion is rather small, but for other nuclei, the dispersion is much larger. NMR signals are reported relative to a reference signal, usually that of TMS (
402:) in a volume of a few cubic centimeters. In order to detect and compensate for inhomogeneity and drift in the magnetic field, the spectrometer maintains a "lock" on the solvent deuterium frequency with a separate lock unit, which is essentially an additional transmitter and RF processor tuned to the lock nucleus (deuterium) rather than the nuclei of the sample of interest. In modern NMR spectrometers shimming is adjusted automatically, though in some cases the operator has to optimize the shim parameters manually to obtain the best possible resolution.
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484:
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851:. In correlation spectroscopy, emission is centered on the peak of an individual nucleus; if its magnetic field is correlated with another nucleus by through-bond (COSY, HSQC, etc.) or through-space (NOE) coupling, a response can also be detected on the frequency of the correlated nucleus. Two-dimensional NMR spectra provide more information about a molecule than one-dimensional NMR spectra and are especially useful in determining the structure of a
3570:
868:
464:). Additionally, since the distribution of NMR signals is field dependent, these frequencies are divided by the spectrometer frequency. However, since we are dividing Hz by MHz, the resulting number would be too small, and thus it is multiplied by a million. This operation therefore gives a locator number called the "chemical shift" with units of parts per million. The chemical shift provides structural information.
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dipolar coupling and chemical shift anisotropy that become dominant to the behaviour of the nuclear spin systems. In conventional solution-state NMR spectroscopy, these additional interactions would lead to a significant broadening of spectral lines. A variety of techniques allows establishing high-resolution conditions, that can, at least for C spectra, be comparable to solution-state NMR spectra.
768:
complex and less easily analyzed (especially if more than two spins are involved). Intensification of some peaks in a multiplet is achieved at the expense of the remainder, which sometimes almost disappear in the background noise, although the integrated area under the peaks remains constant. In most high-field NMR, however, the distortions are usually modest and the characteristic distortions (
289:
1040:), and sugar pucker conformations. For large-scale structure, these local parameters must be supplemented with other structural assumptions or models, because errors add up as the double helix is traversed, and unlike with proteins, the double helix does not have a compact interior and does not fold back upon itself. NMR is also useful for investigating nonstandard geometries such as
169:, the emission is centered around a single frequency, and correlated resonances are observed. This allows identifying the neighboring substituents of the observed functional group, allowing unambiguous identification of the resonances. There are also more complex 3D and 4D methods and a variety of methods designed to suppress or amplify particular types of resonances. In
422:, but it improves readily with averaging of repeated acquisitions. Good H NMR spectra can be acquired with 16 repeats, which takes only minutes. However, for elements heavier than hydrogen, the relaxation time is rather long, e.g. around 8 seconds for C. Thus, acquisition of quantitative heavy-element spectra can be time-consuming, taking tens of minutes to hours.
649:(abbreviation: dd). Note that coupling between nuclei that are chemically equivalent (that is, have the same chemical shift) has no effect on the NMR spectra and couplings between nuclei that are distant (usually more than 3 bonds apart for protons in flexible molecules) are usually too small to cause observable splittings.
1089:
Knowledge of energy minima and rotational energy barriers of small molecules in solution can be found using NMR, e.g. looking at free ligand conformational preferences and conformational dynamics, respectively. This can be used to guide drug design hypotheses, since experimental and calculated values
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because the predominant naturally occurring isotope C is not NMR-active and the nuclear quadrupole moment of the predominant naturally occurring N isotope prevents high resolution information from being obtained from this nitrogen isotope. The most important method used for structure determination of
805:
More subtle effects can occur if chemically equivalent spins (i.e., nuclei related by symmetry and so having the same NMR frequency) have different coupling relationships to external spins. Spins that are chemically equivalent but are not indistinguishable (based on their coupling relationships) are
1102:
Of course, attempts have been made to solve scientific problems using high-pressure NMR spectroscopy. However, most of them were difficult to reproduce due to the problem of equipment for creating and maintaining high pressure. In the most common types of NMR cells for realization of High-pressure
855:, particularly for molecules that are too complicated to work with using one-dimensional NMR. The first two-dimensional experiment, COSY, was proposed by Jean Jeener, a professor at Université Libre de Bruxelles, in 1971. This experiment was later implemented by Walter P. Aue, Enrico Bartholdi and
433:
Decay times of the excitation, typically measured in seconds, depend on the effectiveness of relaxation, which is faster for lighter nuclei and in solids, and slower for heavier nuclei and in solutions, and they can be very long in gases. If the second excitation pulse is sent prematurely before the
81:
nature of the nucleus and increased proportionally to the strength of the external magnetic field . Notably, the resonance frequency of each NMR-active nucleus depends on its chemical environment. As a result, NMR spectra provide information about individual functional groups present in the sample,
425:
Following the pulse, the nuclei are, on average, excited to a certain angle vs. the spectrometer magnetic field. The extent of excitation can be controlled with the pulse width, typically ca. 3-8 μs for the optimal 90° pulse. The pulse width can be determined by plotting the (signed) intensity as a
161:
The timescale of NMR is relatively long, and thus it is not suitable for observing fast phenomena, producing only an averaged spectrum. Although large amounts of impurities do show on an NMR spectrum, better methods exist for detecting impurities, as NMR is inherently not very sensitive - though at
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The above description assumes that the coupling constant is small in comparison with the difference in NMR frequencies between the inequivalent spins. If the shift separation decreases (or the coupling strength increases), the multiplet intensity patterns are first distorted, and then become more
894:
Applications in which solid-state NMR effects occur are often related to structure investigations on membrane proteins, protein fibrils or all kinds of polymers, and chemical analysis in inorganic chemistry, but also include "exotic" applications like the plant leaves and fuel cells. For example,
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A variety of physical circumstances do not allow molecules to be studied in solution, and at the same time not by other spectroscopic techniques to an atomic level, either. In solid-phase media, such as crystals, microcrystalline powders, gels, anisotropic solutions, etc., it is in particular the
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Second-order effects decrease as the frequency difference between multiplets increases, so that high-field (i.e. high-frequency) NMR spectra display less distortion than lower frequency spectra. Early spectra at 60 MHz were more prone to distortion than spectra from later machines typically
337:
An NMR spectrometer typically consists of a spinning sample-holder inside a very strong magnet, a radio-frequency emitter, and a receiver with a probe (an antenna assembly) that goes inside the magnet to surround the sample, optionally gradient coils for diffusion measurements, and electronics to
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High-pressure NMR spectroscopy has been widely used for a variety of applications, mainly related to the characterization of the structure of protein molecules. However, in recent years, software and design solutions have been proposed to characterize the chemical and spatial structures of small
1098:
One of the first scientific works devoted to the use of pressure as a variable parameter in NMR experiments was the work of J. Jonas published in the journal Annual Review of
Biophysics in 1994. The use of high pressures in NMR spectroscopy was primarily driven by the desire to study biochemical
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larger than the small organic molecules discussed earlier in this article, but the basic NMR techniques and some NMR theory also applies. Because of the much higher number of atoms present in a protein molecule in comparison with a small organic compound, the basic 1D spectra become crowded with
471:
the spectrum. For diamagnetic organic compounds, assignments of 1H and 13C NMR spectra are extremely sophisticated because of the large databases and easy computational tools. In general, chemical shifts for protons are highly predictable since the shifts are primarily determined by shielding
272:≠ 0). It is this non-zero spin that enables nuclei to interact with external magnetic fields and show signals in NMR. Atoms with both an odd number of protons and an odd number of neutrons, or an odd sum of protons and neutrons, exhibit half-integer values for the nuclear spin quantum number (
890:
is a very prominent method, when the system comprises spin 1/2 nuclei. Spinning rates of ca. 20 kHz are used, which demands special equipment. A number of intermediate techniques, with samples of partial alignment or reduced mobility, is currently being used in NMR spectroscopy.
220:. Low-resolution NMR produces broader peaks which can easily overlap one another causing issues in resolving complex structures. The use of higher strength magnetic fields result in a better sensitivity and higher resolution of the peaks, and it is preferred for research purposes.
885:
Two important concepts for high-resolution solid-state NMR spectroscopy are the limitation of possible molecular orientation by sample orientation, and the reduction of anisotropic nuclear magnetic interactions by sample spinning. Of the latter approach, fast spinning around the
154:). Typically 2–50 mg, of a substance is required to record a decent quality NMR spectrum. The NMR method is non-destructive, thus the substance may be recovered. To obtain high-resolution NMR spectra, solid substances are usually dissolved to make liquid solutions, although
703:
Coupling to any spin-1/2 nuclei such as phosphorus-31 or fluorine-19 works in this fashion (although the magnitudes of the coupling constants may be very different). But the splitting patterns differ from those described above for nuclei with spin greater than ½ because the
790:
Furthermore, as in the figure to the right, J-coupling can be used to identify ortho-meta-para substitution of a ring. Ortho coupling is the strongest at 15 Hz, Meta follows with an average of 2 Hz, and finally para coupling is usually insignificant for studies.
480:) not only disrupts trends in chemical shifts, which complicates assignments, but it also gives rise to very large chemical shift ranges. For example, most H NMR signals for most organic compounds are within 15 ppm. For P NMR, the range is hundreds of ppm.
2616:- VeSPA (Versatile Simulation, Pulses and Analysis) is a free software suite composed of three Python applications. These GUI based tools are for magnetic resonance (MR) spectral simulation, RF pulse design, and spectral processing and analysis of MR data.
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overlapping signals to an extent where direct spectral analysis becomes untenable. Therefore, multidimensional (2, 3 or 4D) experiments have been devised to deal with this problem. To facilitate these experiments, it is desirable to
280:= 0). These nuclei do not exhibit active spin and are therefore not NMR-active. NMR-active nuclei, particularly those with a spin quantum number of 1/2, are of great significance in NMR spectroscopy. Examples include H, C, N, and P.
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as described on the right. Coupling to additional spins will lead to further splittings of each component of the multiplet e.g. coupling to two different spin ½ nuclei with significantly different coupling constants will lead to a
338:
control the system. Spinning the sample is usually necessary to average out diffusional motion, however some experiments call for a stationary sample when solution movement is an important variable. For instance, measurements of
211:
Less expensive machines using permanent magnets and lower resolution are also available, which still give sufficient performance for certain applications such as reaction monitoring and quick checking of samples. There are even
1508:
731:) is an effect of how strongly the nuclei are coupled to each other. For simple cases, this is an effect of the bonding distance between the nuclei, the magnetic moment of the nuclei,and the dihedral angle between them.
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NMR active nuclei within the molecule. In more complex spectra with multiple peaks at similar chemical shifts or in spectra of nuclei other than hydrogen, coupling is often the only way to distinguish different nuclei.
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and other complex molecules. Besides identification, NMR spectroscopy provides detailed information about the structure, dynamics, reaction state, and chemical environment of molecules. The most common types of NMR are
503:, the samples are paramagnetic, i.e. they contain unpaired electrons. The paramagnetism gives rise to very diverse chemical shifts. In H NMR spectroscopy, the chemical shift range can span up to thousands of ppm.
276:= 1/2, 3/2, 5/2, and so on). These atoms are NMR-active because they possess non-zero nuclear spin. Conversely, atoms with an even number of both protons and neutrons have a nuclear spin quantum number of zero (
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Nucleic acid and protein NMR spectroscopy are similar but differences exist. Nucleic acids have a smaller percentage of hydrogen atoms, which are the atoms usually observed in NMR spectroscopy, and because
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To detect the very small frequency shifts due to nuclear magnetic resonance, the applied magnetic field must be extremely uniform throughout the sample volume. High resolution NMR spectrometers use
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NMR spectrometers are relatively expensive; universities usually have them, but they are less common in private companies. Between 2000 and 2015, an NMR spectrometer cost around 500,000 - 5 million
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1993:
A. Rahmani, C. Knight, and M. R. Morrow. Response to hydrostatic pressure of bicellar dispersions containing anionic lipid: Pressure-induced interdigitation. 2013, 29 (44), pp 13481–13490,
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Ott, J. C.; Wadepohl, H.; Enders, M.; Gade, L. H. (2018). "Taking
Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex".
735:
378:, or melting or boiling points. The chemical shifts of a molecule will change slightly between solvents, and therefore the solvent used will almost always be reported with chemical shifts.
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in ppm on the horizontal axis. Each magnetically inequivalent proton has a characteristic shift, and couplings to other protons appear as splitting of the peaks into multiplets: e.g. peak
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and so contain NMR-active hydrogen-1 nuclei. In order to avoid having the signals from solvent hydrogen atoms overwhelm the experiment and interfere in analysis of the dissolved analyte,
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of the resonances is observed. As NOE depends on the proximity of the nuclei, quantifying the NOE for each nucleus allows for construction of a three-dimensional model of the molecule.
2254:"Self-contained high-pressure cell, apparatus, and procedure for the preparation of encapsulated proteins dissolved in low viscosity fluids for nuclear magnetic resonance spectroscopy"
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Gagné, Donald; Azad, Roksana; Aramini, James M.; Xu, Xingjian; Isiorho, Eta A.; Edupuganti, Uthama R.; Williams, Justin; Marcelino, Leandro
Pimentel; Akasaka, Kazuyuki (2020-08-26).
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are obviously distinguishable, and identical functional groups with differing neighboring substituents still give distinguishable signals. NMR has largely replaced traditional
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magnet since hydrogen is the most common nucleus detected. However, different nuclei will resonate at different frequencies at this field strength in proportion to their
313:. The resonant frequency, energy of the radiation absorbed, and the intensity of the signal are proportional to the strength of the magnetic field. For example, in a 21
204:
magnet, because resolution directly depends on magnetic field strength. Higher magnetic field also improves the sensitivity of the NMR spectroscopy, which depends on the
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methods are almost always used, such as correlation spectroscopy (COSY) and total coherence transfer spectroscopy (TOCSY) to detect through-bond nuclear couplings, and
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Coupling combined with the chemical shift (and the integration for protons) tells us not only about the chemical environment of the nuclei, but also the number of
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2604:- GAMMA is an open source C++ library written for the simulation of Nuclear Magnetic Resonance Spectroscopy experiments. PyGAMMA is a Python wrapper around GAMMA.
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The multiplicity of the splitting is an effect of the spins of the nuclei that are coupled and the number of such nuclei involved in the coupling. Coupling to
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to measure distances between atoms within the molecule. Subsequently, the distances obtained are used to generate a 3D structure of the molecule by solving a
625:
Some of the most useful information for structure determination in a one-dimensional NMR spectrum comes from J-coupling or scalar coupling (a special case of
82:
as well as about connections between nearby nuclei in the same molecule. As the NMR spectra are unique or highly characteristic to individual compounds and
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are stiff and roughly linear, they do not fold back on themselves to give "long-range" correlations. The types of NMR usually done with nucleic acids are
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1537:"Accurate Molecular Weight Determination of Small Molecules via DOSY-NMR by Using External Calibration Curves with Normalized Diffusion Coefficients"
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930:, although larger structures have been solved. NMR spectroscopy is often the only way to obtain high resolution information on partially or wholly
213:
104:
The perturbation of this alignment of the nuclear spins by a weak oscillating magnetic field, usually referred to as a radio-frequency (RF) pulse.
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where the structure before and after interaction with, for example, a drug candidate is compared to its known biochemical activity. Proteins are
922:. A common goal of these investigations is to obtain high resolution 3-dimensional structures of the protein, similar to what can be achieved by
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Cutaway of an NMR magnet that shows its structure: radiation shield, vacuum chamber, liquid nitrogen vessel, liquid helium vessel, and cryogenic
17:
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1048:. It has been especially useful in probing the structure of natural RNA oligonucleotides, which tend to adopt complex conformations such as
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Hanson, John E. (2013). "5. NMR Spectroscopy in
Nondeuterated Solvents (No-D NMR): Applications in the Undergraduate Organic Laboratory".
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Rahmani et al. studied the effect of pressure and temperature on the bicellar structures' self-assembly using deuterium NMR spectroscopy.
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2081:
Wemmer, David (2000). "Chapter 5: Structure and
Dynamics by NMR". In Bloomfield, Victor A.; Crothers, Donald M.; Tinoco, Ignacio (eds.).
2311:"Combining High-Pressure Perturbation with NMR Spectroscopy for a Structural and Dynamical Characterization of Protein Folding Pathways"
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problem. NMR can also be used to obtain information on the dynamics and conformational flexibility of different regions of a protein.
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systems, where the use of high pressure allows controlled changes in intermolecular interactions without significant perturbations.
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by the hydroxyl proton, but intermolecular exchange of the acidic hydroxyl proton often results in a loss of coupling information.
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effects (electron density). The chemical shifts for many heavier nuclei are more strongly influenced by other factors including
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or DOSY) are done using a stationary sample with spinning off, and flow cells can be used for online analysis of process flows.
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is carried out to extract the frequency-domain spectrum from the raw time-domain FID. A spectrum from a single FID has a low
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to other molecules, such as proteins or drugs, by seeing which resonances are shifted upon binding of the other molecule.
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showing peaks shifted in frequency, which give clues as to the molecular structure. (click to read interpretation details)
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Upon excitation of the sample with a radio frequency (60–1000 MHz) pulse, a nuclear magnetic resonance response - a
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The most significant drawback of NMR spectroscopy is its poor sensitivity (compared to other analytical methods, such as
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Detection and analysis of the electromagnetic waves emitted by the nuclei of the sample as a result of this perturbation.
39:
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2598:- A non-technical overview of NMR theory, equipment, and techniques by Dr. Joseph Hornak, Professor of Chemistry at RIT
1945:
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NMR signals are ordinarily characterized by three variables: chemical shift, spin-spin coupling, and relaxation time.
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Johnson Jr., C. S. (1999). "Diffusion ordered nuclear magnetic resonance spectroscopy: principles and applications".
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268:," characterizes the angular momentum of the nucleus. To be NMR-active, a nucleus must have a non-zero nuclear spin (
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has more than two possible values. For instance, coupling to deuterium (a spin 1 nucleus) splits the signal into a
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Addess, Kenneth J.; Feigon, Juli (1996). "Introduction to H NMR Spectroscopy of DNA". In Hecht, Sidney M. (ed.).
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spectroscopy (NOESY), total correlation spectroscopy (TOCSY), and heteronuclear correlation experiments, such as
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Pople, J. A.; Bernstein, H. J.; Schneider, W. G. (1957). "The
Analysis of Nuclear Magnetic Resonance Spectra".
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instead of adding tetramethylsilane (TMS), which is conventionally defined as having a chemical shift of zero.
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Solid-state 900 MHz (21.1 T) NMR spectrometer at the
Canadian National Ultrahigh-field NMR Facility for Solids
374:), although other solvents may be used for various reasons, such as solubility of a sample, desire to control
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in an external magnetic field. This re-orientation occurs with absorption of electromagnetic radiation in the
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molecules in a supercritical fluid environment, using state parameters as a driving force for such changes.
321:(commonly referred to as protons) resonate at 900 MHz. It is common to refer to a 21 T magnet as a 900
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Khodov, I.A.; Belov, K.V.; Krestyaninov, M.A.; Sobornova, V.V.; Dyshin, A.A.; Kiselev, M.G. (August 2023).
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because the spin 1 has three spin states. Similarly, a spin 3/2 nucleus such as Cl splits a signal into a
2223:"High-pressure NMR spectroscopy for characterizing folding intermediates and denatured states of proteins"
1357:. Mark Wainwright Analytical Centre - University of Southern Wales Sydney. 9 December 2011. Archived from
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86:, NMR spectroscopy is one of the most important methods to identify molecular structures, particularly of
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476:("paramagnetic" contribution to shielding tensor). This paramagnetic contribution, which is unrelated to
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926:. In contrast to X-ray crystallography, NMR spectroscopy is usually limited to proteins smaller than 35
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Fürtig, Boris; Richter, Christian; Wöhnert, Jens; Schwalbe, Harald (2003). "NMR Spectroscopy of RNA".
1666:"Reliable Proton Nuclear Resonance Shielding Values by "Internal Referencing" with Tetramethyl-silane"
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Use of High
Pressure NMR Spectroscopy to Rapidly Identify Proteins with Internal Ligand-Binding Voids
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414:(FID) - is obtained. It is a very weak signal, and requires sensitive radio receivers to pick up. A
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The alignment (polarization) of the magnetic nuclear spins in an applied, constant magnetic field B
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The vast majority of molecules in a solution are solvent molecules, and most regular solvents are
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Balazs, Amber; Davies, Nichola; Longmire, David; Packer, Martin; Chiarparin, Elisabetta (2021).
989:. As of 2003, nearly half of all known RNA structures had been determined by NMR spectroscopy.
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between the two nuclear levels, which increases exponentially with the magnetic field strength.
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are comparable. For example, AstraZeneca uses NMR for its oncology research & development.
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spectroscopy (NOESY) to detect couplings between nuclei that are close to each other in space.
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NMR spectra are unique, well-resolved, analytically tractable and often highly predictable for
1893:
Aue, W. P. (1976). "Two-dimensional spectroscopy. Application to nuclear magnetic resonance".
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The energy difference, ΔE, between nuclear spin states is proportional to the magnetic field (
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is the use of NMR spectroscopy to obtain information about the structure and dynamics of poly
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Khodov, I.A.; Belov, K.V.; Dyshin, A.A.; Krestyaninov, M.A.; Kiselev, M.G. (December 2022).
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is one of several types of two-dimensional nuclear magnetic resonance (NMR) spectroscopy or
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2393:"Does DMSO affect the conformational changes of drug molecules in supercritical CO2 Media?"
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1473:"Magnetic resonance spectroscopy as an imaging tool for cancer: a review of the literature"
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835:. Other types of two-dimensional NMR include J-spectroscopy, exchange spectroscopy (EXSY),
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The key determinant of NMR activity in atomic nuclei is the nuclear spin quantum number (
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spectroscopy, but it is applicable to any kind of sample that contains nuclei possessing
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Dubois, Cécile; Herrada, Isaline; Barthe, Philippe; Roumestand, Christian (2020-11-26).
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hydrogens are coupling with each other, resulting in a triplet and quartet respectively.
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2424:"Pressure effect on lidocaine conformational equilibria in scCO2: A study by 2D NOESY"
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1484:
1422:
1418:
1269:
1240:
1010:
957:
461:
415:
399:
383:
367:
229:
151:
83:
2039:
1937:
3574:
3491:
3146:
3005:
2982:
2935:
2876:
2461:
2435:
2404:
2373:
2340:
2322:
2281:
2265:
2234:
2195:
2156:
2115:
2019:
1994:
1933:
1928:
Jeener, Jean (2007). "Jeener, Jean: Reminiscences about the Early Days of 2D NMR".
1910:
1875:
1832:
1704:"Nuclear Magnetic Resonance Spectroscopy Center | Washington State University"
1677:
1665:
1638:
1597:
1596:. ACS Symposium Series. Vol. 1128. American Chemical Society. pp. 69–81.
1557:
1549:
1517:
1414:
1074:
1045:
1037:
974:
856:
395:
375:
185:
174:
136:
87:
2571:
1340:
382:
spectra are often calibrated against the known solvent residual proton peak as an
4389:
3432:
3388:
3383:
3277:
3253:
3087:
3050:
2903:
2893:
2776:
2497:
2457:
2439:
2408:
1717:
1703:
1029:
1006:
876:
654:
614:
201:
155:
74:
2613:
2238:
585:
483:
30:
4427:
4375:
3316:
3294:
3289:
3284:
3239:
3235:
3218:
3175:
3106:
2967:
2962:
2947:
2759:
2677:
1601:
1177:
1033:
776:
743:
602:
594:
451:
265:
144:
132:
125:
66:
4144:
2540:
2377:
2327:
4479:
4198:
3521:
3410:
3366:
3091:
2925:
2920:
2913:
2791:
2336:
2277:
2207:
2168:
1689:
1650:
1626:
1132:
1002:
477:
473:
457:
197:
140:
121:
1492:
914:
Much of the innovation within NMR spectroscopy has been within the field of
240:
independently developed NMR spectroscopy in the late 1940s and early 1950s.
3629:
3398:
3248:
3163:
3139:
3129:
3121:
3022:
2957:
2856:
2705:
2354:
2295:
2031:
2023:
1844:
1571:
1488:
1078:
978:
606:
314:
305:
When placed in a magnetic field, NMR active nuclei (such as H or C) absorb
70:
62:
35:
4284:
2601:
734:
4441:
2796:
2541:
1836:
915:
887:
605:
is not coupling with the other H atoms and appears as a singlet, but the
355:
245:
2619:
2524:
Principles of magnetic resonance: with examples from solid state physics
1681:
1471:
Shah, N; Sattar, A; Benanti, M; Hollander, S; Cheuck, L (January 2006).
1237:
Principles of magnetic resonance: with examples from solid state physics
232:, who received the Nobel Prize in Physics in 1944. The Purcell group at
180:
3422:
2481:
2120:
2107:
1627:"NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities"
1553:
1541:
1053:
1025:
998:
780:
750:, because of the three magnetically equivalent protons in methyl group
664:
For example, in the proton spectrum for ethanol described above, the CH
512:
379:
117:
2595:
2269:
2199:
1998:
1642:
1077:
spectroscopy addresses questions on the structure and conformation of
398:
to adjust the homogeneity of the magnetic field to parts per billion (
3484:
2786:
2651:
1974:
1914:
1865:
1049:
427:
363:
322:
1879:
3506:
2480:
2463:
Nuclear
Magnetic Resonance : applications to organic chemistry
1962:
Two-Dimensional NMR Methods for
Establishing Molecular Connectivity
1625:
Gottlieb, Hugo E.; Kotlyar, Vadim; Nudelman, Abraham (1997-10-01).
1355:"Background and Theory Page of Nuclear Magnetic Resonance Facility"
852:
658:
598:
318:
293:
196:. Modern NMR spectrometers have a very strong, large and expensive
1190:
Quantum mechanics of nuclear magnetic resonance (NMR) spectroscopy
4179:
3526:
1057:
1024:
Parameters taken from the spectrum, mainly NOESY cross-peaks and
944:
867:
828:
739:
590:
467:
The conversion of chemical shifts (and J's, see below) is called
310:
112:
78:
2390:
3598:
824:
815:
93:
The principle of NMR usually involves three sequential steps:
2108:"NMR free ligand conformations and atomic resolution dynamics"
1448:"NMR active nuclei for biological and biomedical applications"
684:
with an intensity ratio of 1:3:3:1 by the three neighboring CH
653:
couplings over more than three bonds can often be observed in
165:
Correlation spectroscopy is a development of ordinary NMR. In
2421:
2308:
1028:, can be used to determine local structural features such as
288:
2009:
292:
The NMR sample is prepared in a thin-walled glass tube - an
216:. NMR spectra of protons (H nuclei) can be observed even in
3501:
2184:"Nuclear Magnetic Resonance in Liquids under High Pressure"
848:
844:
840:
487:
Example of the chemical shift: NMR spectrum of hexaborane B
2145:"High-Pressure NMR Spectroscopy of Proteins and Membranes"
2105:
1470:
1329:. Boston: Allyn and Bacon Chemistry Series. pp. 9–11.
672:
with an intensity ratio of 1:2:1 by the two neighboring CH
264:). This intrinsic quantum property, similar to an atom's "
3511:
986:
982:
927:
862:
601:
atoms in ethanol regarding NMR. The hydrogen (H) on the
366:(hydrogen-2). The most widely used deuterated solvent is
193:
1268:(2nd ed.). Springer. 6 September 2012. p. 67.
1173:
Triple-resonance nuclear magnetic resonance spectroscopy
1070:
Nuclear magnetic resonance spectroscopy of carbohydrates
970:
Nuclear magnetic resonance spectroscopy of nucleic acids
2546:
High Resolution Nuclear Magnetic Resonance Spectroscopy
1624:
1128:
Functional magnetic resonance spectroscopy of the brain
661:
compounds, leading to more complex splitting patterns.
77:
region from roughly 4 to 900 MHz, which depends on the
2149:
Annual Review of Biophysics and Biomolecular Structure
727:
The magnitude of the coupling (the coupling constant,
1822:
1534:
362:
are used where 99+% of the protons are replaced with
2083:
Nucleic acids: Structures, Properties, and Functions
1262:
Structural biology : practical NMR applications
762:
636:
equivalent (spin ½) nuclei splits the signal into a
2518:
2252:Peterson, Ronald W.; Wand, A. Joshua (2005-09-01).
2085:. Sausalito, California: University Science Books.
1509:
Progress in Nuclear Magnetic Resonance Spectroscopy
1477:
The Journal of the American Osteopathic Association
1231:
934:. It is now a common tool for the determination of
910:
Nuclear magnetic resonance spectroscopy of proteins
827:. This type of NMR experiment is best known by its
787:operating at frequencies at 200 MHz or above.
2367:
2052:
1975:"National Ultrahigh-Field NMR Facility for Solids"
1505:
1093:
1056:. NMR is also useful for probing the binding of
283:
214:benchtop nuclear magnetic resonance spectrometers
4477:
2544:; James Feeney; Leslie Howard Sutcliffe (1965).
1594:NMR Spectroscopy in the Undergraduate Curriculum
898:
775:Some of these patterns can be analyzed with the
4174:
2456:
34:A 900 MHz NMR instrument with a 21.1
2181:
1295:
1168:Proton-enhanced nuclear induction spectroscopy
772:) can in fact help to identify related peaks.
147:or typical chromatography for identification.
4300:
4160:
3614:
2635:
2182:Benedek, G. B.; Purcell, E. M. (1954-12-01).
1964:; VCH Publishers, Inc: New York, 1988 (p.59)
640:+1 multiplet with intensity ratios following
3686:Vibrational spectroscopy of linear molecules
2251:
1807:
4314:
809:
162:higher frequencies, sensitivity is higher.
111:Similarly, biochemists use NMR to identify
4307:
4293:
4167:
4153:
3681:Nuclear resonance vibrational spectroscopy
3621:
3607:
2642:
2628:
2496:
2490:High-resolution Nuclear Magnetic Resonance
2142:
589:Example H NMR spectrum (1-dimensional) of
437:
4054:Inelastic electron tunneling spectroscopy
3734:Resonance-enhanced multiphoton ionization
2649:
2610:Software for the analysis of NMR dynamics
2344:
2326:
2285:
2119:
2076:
2074:
1664:Tiers, George Van Dyke (September 1958).
1561:
794:
692:protons would also be split again into a
405:
3822:Extended X-ray absorption fine structure
2569:
2220:
1771:
1765:
1298:"NMR Instrument Price Hikes Spook Users"
918:spectroscopy, an important technique in
866:
733:
584:
482:
287:
228:Credit for the discovery of NMR goes to
179:
29:
4486:Nuclear magnetic resonance spectroscopy
1718:"Center for NMR Spectroscopy: The Lock"
1324:
1123:In vivo magnetic resonance spectroscopy
47:Nuclear magnetic resonance spectroscopy
14:
4478:
2099:
2080:
2071:
2046:
2003:
1927:
1591:
863:Solid-state nuclear magnetic resonance
597:. There are three different types of
426:function of pulse width. It follows a
349:
255:
4288:
4148:
3602:
2623:
2057:. New York: Oxford University Press.
1663:
1404:
1183:Nuclear magnetic resonance decoupling
309:at a frequency characteristic of the
300:
65:technique based on re-orientation of
4127:
3557:
1044:, non-Watson–Crick basepairing, and
859:, who published their work in 1976.
3581:
2502:The Principles of Nuclear Magnetism
2161:10.1146/annurev.bb.23.060194.001443
2055:Bioorganic Chemistry: Nucleic Acids
1892:
1816:
1752:
936:Conformation Activity Relationships
932:intrinsically unstructured proteins
24:
2450:
1930:Encyclopedia of Magnetic Resonance
1774:"Chapter 2: NMR and energy levels"
1411:Basic 1H- and 13C-NMR Spectroscopy
688:protons. In principle, the two CH
332:
25:
4497:
4039:Deep-level transient spectroscopy
3791:Saturated absorption spectroscopy
2563:
1670:The Journal of Physical Chemistry
1153:NMR spectroscopy of stereoisomers
1084:
763:Second-order (or strong) coupling
754:, couple to one adjacent proton (
445:
4126:
4115:
4114:
4044:Dual-polarization interferometry
3628:
3580:
3568:
3556:
3545:
3544:
2583:University of California, Irvine
2572:"Understanding NMR Spectroscopy"
2258:Review of Scientific Instruments
2143:Jonas, J; Jonas, A (June 1994).
1789:University of California, Irvine
1631:The Journal of Organic Chemistry
1577:
1535:Neufeld, R.; Stalke, D. (2015).
1419:10.1016/b978-044451811-8.50008-5
1296:Marc S. Reisch (June 29, 2015).
1063:
963:
758:) and thus appears as a doublet.
593:plotted as signal intensity vs.
389:
4059:Scanning tunneling spectroscopy
4034:Circular dichroism spectroscopy
4029:Acoustic resonance spectroscopy
2415:
2384:
2361:
2302:
2245:
2214:
2188:The Journal of Chemical Physics
2175:
2136:
1987:
1967:
1954:
1938:10.1002/9780470034590.emrhp0087
1921:
1895:The Journal of Chemical Physics
1886:
1859:
1801:
1755:"INVERSION-RECOVERY EXPERIMENT"
1746:
1728:
1710:
1696:
1657:
1618:
1585:
1528:
1499:
1464:
1440:
783:, though it has limited scope.
158:spectroscopy is also possible.
55:magnetic resonance spectroscopy
18:Magnetic resonance spectroscopy
3988:Fourier-transform spectroscopy
3676:Vibrational circular dichroism
2221:Kamatari, Y (September 2004).
2112:Magnetic Resonance Discussions
1785:Understanding NMR Spectroscopy
1413:, Elsevier, pp. 213–231,
1398:
1373:
1347:
1333:
1318:
1314:. The Scientist. Oct 30, 2000.
1304:
1289:
1253:
1225:
1094:High-pressure NMR spectroscopy
516:
344:diffusion ordered spectroscopy
284:Main aspects of NMR techniques
13:
1:
3786:Cavity ring-down spectroscopy
3691:Thermal infrared spectroscopy
2909:Interface and colloid science
2663:Glossary of chemical formulae
1522:10.1016/S0079-6565(99)00003-5
1218:
1213:Perturbed angular correlation
947:label the protein with C and
899:Biomolecular NMR spectroscopy
506:
501:paramagnetic NMR spectroscopy
3920:Inelastic neutron scattering
2466:. McGraw-Hill Book Company.
2440:10.1016/j.molliq.2022.120525
2428:Journal of Molecular Liquids
2409:10.1016/j.molliq.2023.122230
2397:Journal of Molecular Liquids
1960:Martin, G.E; Zekter, A.S.,
1158:Nuclear quadrupole resonance
7:
3981:Data collection, processing
3857:Photoelectron/photoemission
3186:Bioorganometallic chemistry
2673:List of inorganic compounds
2602:GAMMA and PyGAMMA Libraries
2492:. McGraw-Hill Book Company.
2239:10.1016/j.ymeth.2004.03.010
1110:
1103:NMR experiments are given.
995:nucleic acid double helices
903:
676:protons. Similarly, the CH
10:
4502:
4465:1H and 13C chemical shifts
4363:Deuterated dichloromethane
4066:Photoacoustic spectroscopy
4008:Time-resolved spectroscopy
3112:Dynamic covalent chemistry
3083:Enantioselective synthesis
3063:Physical organic chemistry
3016:Organolanthanide chemistry
1602:10.1021/bk-2013-1128.ch005
1407:"Dynamic NMR Spectroscopy"
1327:Nuclear Magnetic Resonance
1138:Magnetic Resonance Imaging
1067:
967:
907:
874:
813:
798:
510:
449:
223:
4455:
4322:
4186:
4110:
4092:Astronomical spectroscopy
4084:
4071:Photothermal spectroscopy
4021:
3980:
3973:
3935:
3907:
3849:
3799:
3699:
3636:
3540:
3443:
3204:
3120:
3041:
2991:
2867:
2810:
2701:Electroanalytical methods
2686:
2658:
2378:10.1101/2020.08.25.267195
2328:10.3390/molecules25235551
1325:Paudler, William (1974).
1019:nuclear Overhauser effect
837:Nuclear Overhauser effect
307:electromagnetic radiation
171:nuclear Overhauser effect
49:, most commonly known as
3456:Nobel Prize in Chemistry
3372:Supramolecular chemistry
3011:Organometallic chemistry
2488:; H.J.Bernstein (1959).
821:Correlation spectroscopy
810:Correlation spectroscopy
327:nuclear magnetic moments
173:(NOE) spectroscopy, the
4316:Deuterated NMR solvents
4076:Pump–probe spectroscopy
3965:Ferromagnetic resonance
3757:Laser-induced breakdown
3394:Combinatorial chemistry
3305:Food physical chemistry
3268:Environmental chemistry
3152:Bioorthogonal chemistry
3078:Retrosynthetic analysis
2899:Chemical thermodynamics
2882:Spectroelectrochemistry
2825:Computational chemistry
2577:University of Cambridge
1779:University of Cambridge
1381:"4.7: NMR Spectroscopy"
438:Spectral interpretation
236:and the Bloch group at
3772:Glow-discharge optical
3752:Raman optical activity
3666:Rotational–vibrational
3466:of element discoveries
3312:Agricultural chemistry
3300:Carbohydrate chemistry
3191:Bioinorganic chemistry
3056:Alkane stereochemistry
3001:Coordination chemistry
2830:Mathematical chemistry
2696:Instrumental chemistry
2372:(Report). Biophysics.
2024:10.1002/cbic.200300700
1812:(5 ed.). Freeman.
1808:Peter Atkins (1994) .
1740:www2.chemistry.msu.edu
1208:Muon spin spectroscopy
1058:nucleic acid molecules
872:
801:Magnetic inequivalence
795:Magnetic inequivalence
759:
668:group is split into a
622:
496:
406:Acquisition of spectra
297:
252:for their inventions.
250:Nobel Prize in Physics
189:
43:
4354:Deuterated chloroform
3993:Hyperspectral imaging
3461:Timeline of chemistry
3358:Post-mortem chemistry
3343:Clandestine chemistry
3273:Atmospheric chemistry
3196:Biophysical chemistry
3028:Solid-state chemistry
2978:Equilibrium chemistry
2887:Photoelectrochemistry
1405:Balci, Metin (2005),
924:X-ray crystallography
875:Further information:
870:
814:Further information:
799:Further information:
737:
588:
486:
420:signal-to-noise ratio
291:
206:population difference
183:
33:
3745:Coherent anti-Stokes
3700:UV–Vis–NIR "Optical"
3451:History of chemistry
3406:Chemical engineering
3181:Bioorganic chemistry
2931:Structural chemistry
2668:List of biomolecules
2526:. Harper & Row.
1837:10.1021/jacs.8b11330
1385:Chemistry LibreTexts
1239:. Harper & Row.
1196:nuclear spectroscopy
1148:NMR spectra database
412:free induction decay
242:Edward Mills Purcell
218:Earth magnetic field
27:Laboratory technique
4418:Deuterated methanol
4049:Hadron spectroscopy
3839:Conversion electron
3800:X-ray and Gamma ray
3707:Ultraviolet–visible
3474:The central science
3428:Ceramic engineering
3353:Forensic toxicology
3326:Chemistry education
3224:Radiation chemistry
3206:Interdisciplinarity
3159:Medicinal chemistry
3097:Fullerene chemistry
2973:Microwave chemistry
2842:Molecular mechanics
2837:Molecular modelling
2520:Charles P. Slichter
2504:. Clarendon Press.
1907:1976JChPh..64.2229A
1831:(50): 17413–17417.
1759:triton.iqfr.csic.es
1682:10.1021/j150567a041
1233:Charles P. Slichter
1194:Related methods of
1163:Pulsed field magnet
1143:NMR crystallography
1015:Two-dimensional NMR
940:orders of magnitude
706:spin quantum number
698:doublet of quartets
647:doublet of doublets
360:deuterated solvents
350:Deuterated solvents
340:diffusion constants
256:NMR-active criteria
238:Stanford University
167:two-dimensional NMR
4404:Deuterated ethanol
4341:Deuterated benzene
4327:Deuterated acetone
4097:Force spectroscopy
4022:Measured phenomena
4013:Video spectroscopy
3717:Cold vapour atomic
3517:Chemical substance
3379:Chemical synthesis
3348:Forensic chemistry
3229:Actinide chemistry
3171:Clinical chemistry
2852:Molecular geometry
2847:Molecular dynamics
2802:Elemental analysis
2755:Separation process
2121:10.5194/mr-2021-27
1810:Physical Chemistry
1554:10.1039/C5SC00670H
1361:on 27 January 2014
1341:"Discovery of NMR"
1312:"Taking It Higher"
1026:coupling constants
952:proteins utilizes
920:structural biology
873:
760:
738:H NMR spectrum of
627:spin–spin coupling
623:
497:
301:Resonant frequency
298:
234:Harvard University
190:
44:
4473:
4472:
4282:
4281:
4142:
4141:
4106:
4105:
3998:Spectrophotometry
3925:Neutron spin echo
3899:Beta spectroscopy
3812:Energy-dispersive
3596:
3595:
3532:Quantum mechanics
3497:Chemical compound
3480:Chemical reaction
3418:Materials science
3336:General chemistry
3331:Amateur chemistry
3259:Photogeochemistry
3244:Stellar chemistry
3214:Nuclear chemistry
3135:Molecular biology
3102:Polymer chemistry
3073:Organic synthesis
3068:Organic reactions
3033:Ceramic chemistry
3023:Cluster chemistry
2953:Chemical kinetics
2941:Molecular physics
2820:Quantum chemistry
2733:Mass spectrometry
2596:The Basics of NMR
2270:10.1063/1.2038087
2200:10.1063/1.1739982
2194:(12): 2003–2012.
2092:978-0-935702-49-1
2064:978-0-19-508467-2
1999:10.1021/la4035694
1753:Parella, Teodor.
1643:10.1021/jo971176v
1637:(21): 7512–7515.
1275:978-1-4614-3964-6
1118:Earth's field NMR
958:distance geometry
642:Pascal's triangle
583:
582:
579:1:6:15:20:15:6:1
462:tetramethylsilane
416:Fourier transform
384:internal standard
368:deuterochloroform
230:Isidor Isaac Rabi
152:mass spectrometry
137:functional groups
88:organic compounds
84:functional groups
16:(Redirected from
4493:
4442:Deuterated water
4309:
4302:
4295:
4286:
4285:
4176:NMR spectroscopy
4169:
4162:
4155:
4146:
4145:
4130:
4129:
4118:
4117:
3978:
3977:
3889:phenomenological
3638:Vibrational (IR)
3623:
3616:
3609:
3600:
3599:
3584:
3583:
3572:
3560:
3559:
3548:
3547:
3492:Chemical element
3147:Chemical biology
3006:Magnetochemistry
2983:Mechanochemistry
2936:Chemical physics
2877:Electrochemistry
2782:Characterization
2644:
2637:
2630:
2621:
2620:
2592:
2590:
2589:
2580:
2559:
2537:
2515:
2493:
2477:
2444:
2443:
2419:
2413:
2412:
2388:
2382:
2381:
2365:
2359:
2358:
2348:
2330:
2306:
2300:
2299:
2289:
2249:
2243:
2242:
2218:
2212:
2211:
2179:
2173:
2172:
2140:
2134:
2133:
2123:
2103:
2097:
2096:
2078:
2069:
2068:
2050:
2044:
2043:
2007:
2001:
1991:
1985:
1984:
1982:
1981:
1971:
1965:
1958:
1952:
1951:
1925:
1919:
1918:
1915:10.1063/1.432450
1890:
1884:
1883:
1863:
1857:
1856:
1825:J. Am. Chem. Soc
1820:
1814:
1813:
1805:
1799:
1798:
1796:
1795:
1782:
1769:
1763:
1762:
1750:
1744:
1743:
1732:
1726:
1725:
1722:nmr.chem.wsu.edu
1714:
1708:
1707:
1700:
1694:
1693:
1676:(9): 1151–1152.
1661:
1655:
1654:
1622:
1616:
1615:
1589:
1583:
1582:
1581:
1575:
1565:
1548:(6): 3354–3364.
1532:
1526:
1525:
1516:(3–4): 203–256.
1503:
1497:
1496:
1491:. Archived from
1468:
1462:
1461:
1459:
1458:
1444:
1438:
1437:
1436:
1435:
1402:
1396:
1395:
1393:
1392:
1377:
1371:
1370:
1368:
1366:
1351:
1345:
1344:
1337:
1331:
1330:
1322:
1316:
1315:
1308:
1302:
1301:
1293:
1287:
1286:
1284:
1282:
1267:
1257:
1251:
1250:
1229:
1203:Mössbauer effect
1075:Carbohydrate NMR
1046:coaxial stacking
1038:Karplus equation
975:Nucleic acid NMR
857:Richard R. Ernst
680:is split into a
523:Intensity ratio
517:
376:hydrogen bonding
317:magnetic field,
248:shared the 1952
51:NMR spectroscopy
42:, Birmingham, UK
21:
4501:
4500:
4496:
4495:
4494:
4492:
4491:
4490:
4476:
4475:
4474:
4469:
4451:
4447:
4437:
4433:
4423:
4413:
4409:
4399:
4395:
4390:Deuterated DMSO
4385:
4381:
4372:
4368:
4359:
4350:
4346:
4336:
4332:
4318:
4313:
4283:
4278:
4182:
4173:
4143:
4138:
4102:
4080:
4017:
3969:
3931:
3903:
3845:
3795:
3695:
3656:Resonance Raman
3632:
3627:
3597:
3592:
3536:
3439:
3433:Polymer science
3389:Click chemistry
3384:Green chemistry
3278:Ocean chemistry
3254:Biogeochemistry
3200:
3116:
3088:Total synthesis
3051:Stereochemistry
3037:
2987:
2904:Surface science
2894:Thermochemistry
2863:
2806:
2777:Crystallography
2682:
2654:
2648:
2587:
2585:
2574:
2566:
2556:
2534:
2512:
2474:
2458:John D. Roberts
2453:
2451:Further reading
2448:
2447:
2420:
2416:
2389:
2385:
2366:
2362:
2307:
2303:
2250:
2246:
2219:
2215:
2180:
2176:
2141:
2137:
2104:
2100:
2093:
2079:
2072:
2065:
2051:
2047:
2008:
2004:
1992:
1988:
1979:
1977:
1973:
1972:
1968:
1959:
1955:
1948:
1926:
1922:
1891:
1887:
1880:10.1139/v57-143
1864:
1860:
1821:
1817:
1806:
1802:
1793:
1791:
1776:
1770:
1766:
1751:
1747:
1736:"NMR Artifacts"
1734:
1733:
1729:
1716:
1715:
1711:
1702:
1701:
1697:
1662:
1658:
1623:
1619:
1612:
1590:
1586:
1576:
1533:
1529:
1504:
1500:
1469:
1465:
1456:
1454:
1452:Open Medscience
1446:
1445:
1441:
1433:
1431:
1429:
1403:
1399:
1390:
1388:
1379:
1378:
1374:
1364:
1362:
1353:
1352:
1348:
1339:
1338:
1334:
1323:
1319:
1310:
1309:
1305:
1294:
1290:
1280:
1278:
1276:
1265:
1259:
1258:
1254:
1247:
1230:
1226:
1221:
1187:
1113:
1096:
1087:
1072:
1066:
1034:dihedral angles
1030:glycosidic bond
999:H or proton NMR
972:
966:
954:NOE experiments
912:
906:
901:
879:
877:Solid-state NMR
865:
818:
812:
803:
797:
765:
714:1:1:1:1 quartet
691:
687:
679:
675:
667:
618:
610:
515:
509:
494:
490:
454:
448:
440:
408:
392:
373:
352:
335:
333:Sample handling
319:hydrogen nuclei
303:
286:
258:
226:
202:superconducting
156:solid-state NMR
133:small molecules
100:
75:radio frequency
28:
23:
22:
15:
12:
11:
5:
4499:
4489:
4488:
4471:
4470:
4468:
4467:
4462:
4460:
4456:
4453:
4452:
4450:
4449:
4445:
4439:
4435:
4431:
4428:Deuterated THF
4425:
4421:
4415:
4411:
4407:
4401:
4397:
4393:
4387:
4383:
4379:
4376:Deuterated DMF
4373:
4370:
4366:
4360:
4357:
4351:
4348:
4344:
4338:
4334:
4330:
4323:
4320:
4319:
4312:
4311:
4304:
4297:
4289:
4280:
4279:
4277:
4276:
4271:
4266:
4261:
4256:
4251:
4246:
4241:
4236:
4231:
4226:
4221:
4216:
4211:
4206:
4201:
4196:
4190:
4188:
4184:
4183:
4172:
4171:
4164:
4157:
4149:
4140:
4139:
4137:
4136:
4124:
4111:
4108:
4107:
4104:
4103:
4101:
4100:
4094:
4088:
4086:
4082:
4081:
4079:
4078:
4073:
4068:
4063:
4062:
4061:
4051:
4046:
4041:
4036:
4031:
4025:
4023:
4019:
4018:
4016:
4015:
4010:
4005:
4000:
3995:
3990:
3984:
3982:
3975:
3971:
3970:
3968:
3967:
3962:
3957:
3952:
3951:
3950:
3939:
3937:
3933:
3932:
3930:
3929:
3928:
3927:
3917:
3911:
3909:
3905:
3904:
3902:
3901:
3896:
3891:
3886:
3881:
3880:
3879:
3874:
3872:Angle-resolved
3869:
3864:
3853:
3851:
3847:
3846:
3844:
3843:
3842:
3841:
3831:
3826:
3825:
3824:
3819:
3814:
3803:
3801:
3797:
3796:
3794:
3793:
3788:
3783:
3782:
3781:
3776:
3775:
3774:
3759:
3754:
3749:
3748:
3747:
3737:
3731:
3726:
3721:
3720:
3719:
3709:
3703:
3701:
3697:
3696:
3694:
3693:
3688:
3683:
3678:
3673:
3668:
3663:
3658:
3653:
3648:
3642:
3640:
3634:
3633:
3626:
3625:
3618:
3611:
3603:
3594:
3593:
3591:
3590:
3578:
3566:
3554:
3541:
3538:
3537:
3535:
3534:
3529:
3524:
3519:
3514:
3509:
3504:
3499:
3494:
3489:
3488:
3487:
3477:
3470:
3469:
3468:
3458:
3453:
3447:
3445:
3441:
3440:
3438:
3437:
3436:
3435:
3430:
3425:
3415:
3414:
3413:
3403:
3402:
3401:
3396:
3391:
3386:
3376:
3375:
3374:
3363:
3362:
3361:
3360:
3355:
3345:
3340:
3339:
3338:
3333:
3322:
3321:
3320:
3319:
3317:Soil chemistry
3309:
3308:
3307:
3302:
3295:Food chemistry
3292:
3290:Carbochemistry
3287:
3285:Clay chemistry
3282:
3281:
3280:
3275:
3264:
3263:
3262:
3261:
3256:
3246:
3240:Astrochemistry
3236:Cosmochemistry
3233:
3232:
3231:
3226:
3221:
3219:Radiochemistry
3210:
3208:
3202:
3201:
3199:
3198:
3193:
3188:
3183:
3178:
3176:Neurochemistry
3173:
3168:
3167:
3166:
3156:
3155:
3154:
3144:
3143:
3142:
3137:
3126:
3124:
3118:
3117:
3115:
3114:
3109:
3107:Petrochemistry
3104:
3099:
3094:
3085:
3080:
3075:
3070:
3065:
3060:
3059:
3058:
3047:
3045:
3039:
3038:
3036:
3035:
3030:
3025:
3020:
3019:
3018:
3008:
3003:
2997:
2995:
2989:
2988:
2986:
2985:
2980:
2975:
2970:
2968:Spin chemistry
2965:
2963:Photochemistry
2960:
2955:
2950:
2948:Femtochemistry
2945:
2944:
2943:
2933:
2928:
2923:
2918:
2917:
2916:
2906:
2901:
2896:
2891:
2890:
2889:
2884:
2873:
2871:
2865:
2864:
2862:
2861:
2860:
2859:
2849:
2844:
2839:
2834:
2833:
2832:
2822:
2816:
2814:
2808:
2807:
2805:
2804:
2799:
2794:
2789:
2784:
2779:
2774:
2773:
2772:
2767:
2760:Chromatography
2757:
2752:
2751:
2750:
2745:
2740:
2730:
2729:
2728:
2723:
2718:
2713:
2703:
2698:
2692:
2690:
2684:
2683:
2681:
2680:
2678:Periodic table
2675:
2670:
2665:
2659:
2656:
2655:
2647:
2646:
2639:
2632:
2624:
2618:
2617:
2611:
2605:
2599:
2593:
2575:(reprinted at
2570:James Keeler.
2565:
2564:External links
2562:
2561:
2560:
2554:
2538:
2532:
2516:
2510:
2494:
2478:
2472:
2452:
2449:
2446:
2445:
2414:
2383:
2360:
2301:
2244:
2233:(1): 133–143.
2213:
2174:
2155:(1): 287–318.
2135:
2098:
2091:
2070:
2063:
2045:
2018:(10): 936–62.
2002:
1986:
1966:
1953:
1947:978-0470034590
1946:
1920:
1885:
1858:
1815:
1800:
1777:(reprinted at
1772:James Keeler.
1764:
1745:
1727:
1709:
1695:
1656:
1617:
1610:
1584:
1527:
1498:
1495:on 2013-04-07.
1463:
1439:
1427:
1397:
1372:
1346:
1332:
1317:
1303:
1288:
1274:
1252:
1245:
1223:
1222:
1220:
1217:
1216:
1215:
1210:
1205:
1192:
1186:
1185:
1180:
1178:Zero field NMR
1175:
1170:
1165:
1160:
1155:
1150:
1145:
1140:
1135:
1130:
1125:
1120:
1114:
1112:
1109:
1095:
1092:
1086:
1085:Drug discovery
1083:
1068:Main article:
1065:
1062:
968:Main article:
965:
962:
908:Main article:
905:
902:
900:
897:
864:
861:
811:
808:
796:
793:
764:
761:
744:chemical shift
689:
685:
677:
673:
665:
616:
608:
595:chemical shift
581:
580:
577:
573:
572:
571:1:5:10:10:5:1
569:
565:
564:
561:
557:
556:
553:
549:
548:
545:
541:
540:
537:
533:
532:
529:
525:
524:
521:
511:Main article:
508:
505:
492:
488:
474:excited states
452:Chemical shift
450:Main article:
447:
446:Chemical shift
444:
439:
436:
407:
404:
391:
388:
371:
351:
348:
334:
331:
302:
299:
285:
282:
257:
254:
225:
222:
145:color reagents
143:tests such as
109:
108:
105:
102:
98:
69:with non-zero
26:
9:
6:
4:
3:
2:
4498:
4487:
4484:
4483:
4481:
4466:
4463:
4461:
4458:
4457:
4454:
4443:
4440:
4429:
4426:
4419:
4416:
4405:
4402:
4391:
4388:
4377:
4374:
4364:
4361:
4355:
4352:
4342:
4339:
4328:
4325:
4324:
4321:
4317:
4310:
4305:
4303:
4298:
4296:
4291:
4290:
4287:
4275:
4272:
4270:
4267:
4265:
4262:
4260:
4257:
4255:
4252:
4250:
4247:
4245:
4242:
4240:
4237:
4235:
4232:
4230:
4227:
4225:
4222:
4220:
4217:
4215:
4212:
4210:
4207:
4205:
4202:
4200:
4197:
4195:
4192:
4191:
4189:
4185:
4181:
4177:
4170:
4165:
4163:
4158:
4156:
4151:
4150:
4147:
4135:
4134:
4125:
4123:
4122:
4113:
4112:
4109:
4098:
4095:
4093:
4090:
4089:
4087:
4083:
4077:
4074:
4072:
4069:
4067:
4064:
4060:
4057:
4056:
4055:
4052:
4050:
4047:
4045:
4042:
4040:
4037:
4035:
4032:
4030:
4027:
4026:
4024:
4020:
4014:
4011:
4009:
4006:
4004:
4001:
3999:
3996:
3994:
3991:
3989:
3986:
3985:
3983:
3979:
3976:
3972:
3966:
3963:
3961:
3958:
3956:
3953:
3949:
3946:
3945:
3944:
3941:
3940:
3938:
3934:
3926:
3923:
3922:
3921:
3918:
3916:
3913:
3912:
3910:
3906:
3900:
3897:
3895:
3892:
3890:
3887:
3885:
3882:
3878:
3875:
3873:
3870:
3868:
3865:
3863:
3860:
3859:
3858:
3855:
3854:
3852:
3848:
3840:
3837:
3836:
3835:
3832:
3830:
3827:
3823:
3820:
3818:
3815:
3813:
3810:
3809:
3808:
3805:
3804:
3802:
3798:
3792:
3789:
3787:
3784:
3780:
3777:
3773:
3770:
3769:
3768:
3765:
3764:
3763:
3760:
3758:
3755:
3753:
3750:
3746:
3743:
3742:
3741:
3738:
3735:
3732:
3730:
3729:Near-infrared
3727:
3725:
3722:
3718:
3715:
3714:
3713:
3710:
3708:
3705:
3704:
3702:
3698:
3692:
3689:
3687:
3684:
3682:
3679:
3677:
3674:
3672:
3669:
3667:
3664:
3662:
3659:
3657:
3654:
3652:
3649:
3647:
3644:
3643:
3641:
3639:
3635:
3631:
3624:
3619:
3617:
3612:
3610:
3605:
3604:
3601:
3589:
3588:
3579:
3577:
3576:
3571:
3567:
3565:
3564:
3555:
3553:
3552:
3543:
3542:
3539:
3533:
3530:
3528:
3525:
3523:
3522:Chemical bond
3520:
3518:
3515:
3513:
3510:
3508:
3505:
3503:
3500:
3498:
3495:
3493:
3490:
3486:
3483:
3482:
3481:
3478:
3475:
3471:
3467:
3464:
3463:
3462:
3459:
3457:
3454:
3452:
3449:
3448:
3446:
3442:
3434:
3431:
3429:
3426:
3424:
3421:
3420:
3419:
3416:
3412:
3411:Stoichiometry
3409:
3408:
3407:
3404:
3400:
3397:
3395:
3392:
3390:
3387:
3385:
3382:
3381:
3380:
3377:
3373:
3370:
3369:
3368:
3367:Nanochemistry
3365:
3364:
3359:
3356:
3354:
3351:
3350:
3349:
3346:
3344:
3341:
3337:
3334:
3332:
3329:
3328:
3327:
3324:
3323:
3318:
3315:
3314:
3313:
3310:
3306:
3303:
3301:
3298:
3297:
3296:
3293:
3291:
3288:
3286:
3283:
3279:
3276:
3274:
3271:
3270:
3269:
3266:
3265:
3260:
3257:
3255:
3252:
3251:
3250:
3247:
3245:
3241:
3237:
3234:
3230:
3227:
3225:
3222:
3220:
3217:
3216:
3215:
3212:
3211:
3209:
3207:
3203:
3197:
3194:
3192:
3189:
3187:
3184:
3182:
3179:
3177:
3174:
3172:
3169:
3165:
3162:
3161:
3160:
3157:
3153:
3150:
3149:
3148:
3145:
3141:
3138:
3136:
3133:
3132:
3131:
3128:
3127:
3125:
3123:
3119:
3113:
3110:
3108:
3105:
3103:
3100:
3098:
3095:
3093:
3092:Semisynthesis
3089:
3086:
3084:
3081:
3079:
3076:
3074:
3071:
3069:
3066:
3064:
3061:
3057:
3054:
3053:
3052:
3049:
3048:
3046:
3044:
3040:
3034:
3031:
3029:
3026:
3024:
3021:
3017:
3014:
3013:
3012:
3009:
3007:
3004:
3002:
2999:
2998:
2996:
2994:
2990:
2984:
2981:
2979:
2976:
2974:
2971:
2969:
2966:
2964:
2961:
2959:
2956:
2954:
2951:
2949:
2946:
2942:
2939:
2938:
2937:
2934:
2932:
2929:
2927:
2926:Sonochemistry
2924:
2922:
2921:Cryochemistry
2919:
2915:
2914:Micromeritics
2912:
2911:
2910:
2907:
2905:
2902:
2900:
2897:
2895:
2892:
2888:
2885:
2883:
2880:
2879:
2878:
2875:
2874:
2872:
2870:
2866:
2858:
2855:
2854:
2853:
2850:
2848:
2845:
2843:
2840:
2838:
2835:
2831:
2828:
2827:
2826:
2823:
2821:
2818:
2817:
2815:
2813:
2809:
2803:
2800:
2798:
2795:
2793:
2792:Wet chemistry
2790:
2788:
2785:
2783:
2780:
2778:
2775:
2771:
2768:
2766:
2763:
2762:
2761:
2758:
2756:
2753:
2749:
2746:
2744:
2741:
2739:
2736:
2735:
2734:
2731:
2727:
2724:
2722:
2719:
2717:
2714:
2712:
2709:
2708:
2707:
2704:
2702:
2699:
2697:
2694:
2693:
2691:
2689:
2685:
2679:
2676:
2674:
2671:
2669:
2666:
2664:
2661:
2660:
2657:
2653:
2645:
2640:
2638:
2633:
2631:
2626:
2625:
2622:
2615:
2612:
2609:
2606:
2603:
2600:
2597:
2594:
2584:
2578:
2573:
2568:
2567:
2557:
2555:9781483184081
2551:
2547:
2543:
2539:
2535:
2533:9783540084761
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2511:9780198520146
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2486:W.G.Schneider
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1246:9783540084761
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1139:
1136:
1134:
1133:Low field NMR
1131:
1129:
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1124:
1121:
1119:
1116:
1115:
1108:
1104:
1100:
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1079:carbohydrates
1076:
1071:
1064:Carbohydrates
1061:
1059:
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1043:
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1027:
1022:
1020:
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1008:
1004:
1000:
996:
990:
988:
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979:nucleic acids
976:
971:
964:Nucleic acids
961:
959:
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950:
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937:
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929:
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788:
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779:published by
778:
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710:1:1:1 triplet
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660:
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485:
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478:paramagnetism
475:
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458:Zeeman effect
453:
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198:liquid helium
195:
187:
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163:
159:
157:
153:
148:
146:
142:
141:wet chemistry
138:
134:
129:
127:
123:
122:carbon-13 NMR
119:
114:
106:
103:
96:
95:
94:
91:
89:
85:
80:
76:
72:
71:nuclear spins
68:
67:atomic nuclei
64:
63:spectroscopic
60:
56:
52:
48:
41:
37:
32:
19:
4175:
4131:
4119:
4099:(a misnomer)
4085:Applications
4003:Time-stretch
3942:
3894:paramagnetic
3712:Fluorescence
3630:Spectroscopy
3585:
3573:
3561:
3549:
3399:Biosynthesis
3249:Geochemistry
3164:Pharmacology
3140:Cell biology
3130:Biochemistry
2958:Spectroscopy
2857:VSEPR theory
2725:
2706:Spectroscopy
2650:Branches of
2586:. Retrieved
2548:. Pergamon.
2545:
2523:
2501:
2489:
2462:
2431:
2427:
2417:
2400:
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2257:
2247:
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2152:
2148:
2138:
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2101:
2082:
2054:
2048:
2015:
2011:
2005:
1989:
1978:. Retrieved
1969:
1961:
1956:
1929:
1923:
1898:
1894:
1888:
1871:
1868:Can. J. Chem
1867:
1861:
1828:
1824:
1818:
1809:
1803:
1792:. Retrieved
1784:
1767:
1758:
1748:
1739:
1730:
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1587:
1545:
1540:
1530:
1513:
1507:
1501:
1493:the original
1483:(1): 23–27.
1480:
1476:
1466:
1455:. Retrieved
1451:
1442:
1432:, retrieved
1410:
1400:
1389:. Retrieved
1387:. 2016-07-14
1384:
1375:
1363:. Retrieved
1359:the original
1349:
1335:
1326:
1320:
1306:
1291:
1279:. Retrieved
1261:
1255:
1236:
1227:
1193:
1105:
1101:
1097:
1088:
1073:
1042:bent helices
1023:
991:
973:
945:isotopically
913:
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884:
880:
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804:
789:
785:
774:
769:
766:
755:
751:
747:
728:
726:
720:
718:
713:
709:
702:
697:
693:
681:
669:
663:
650:
646:
637:
633:
631:
624:
520:Multiplicity
498:
468:
466:
455:
441:
432:
424:
409:
393:
356:hydrocarbons
353:
343:
336:
304:
277:
273:
269:
261:
259:
227:
210:
191:
164:
160:
149:
135:. Different
130:
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92:
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45:
3671:Vibrational
3587:WikiProject
2812:Theoretical
2797:Calorimetry
2542:John Emsley
2012:ChemBioChem
1901:(5): 2229.
1054:pseudoknots
1036:(using the
916:protein NMR
888:magic angle
721:neighboring
716:and so on.
552:Quartet (q)
544:Triplet (t)
536:Doublet (d)
528:Singlet (s)
246:Felix Bloch
3877:Two-photon
3779:absorption
3661:Rotational
3423:Metallurgy
3122:Biological
2688:Analytical
2588:2007-05-11
2498:A. Abragam
2434:: 120525.
2403:: 122230.
2264:(9): 1–7.
1980:2014-09-22
1794:2007-05-11
1542:Chem. Sci.
1457:2023-11-25
1434:2023-11-25
1391:2023-11-25
1365:9 February
1281:7 December
1219:References
1050:stem-loops
981:, such as
781:John Pople
696:to form a
651:Long-range
563:1:4:6:4:1
513:J-coupling
507:J-coupling
428:sine curve
380:Proton NMR
175:relaxation
38:magnet at
4459:Reference
3955:Terahertz
3936:Radiowave
3834:Mössbauer
3485:Catalysis
2993:Inorganic
2787:Titration
2652:chemistry
2482:J.A.Pople
2337:1420-3049
2315:Molecules
2278:0034-6748
2208:0021-9606
2169:1056-8700
2130:233441183
1874:: 65–81.
1853:207195859
1690:0022-3654
1651:0022-3263
603:−OH group
469:assigning
364:deuterium
4480:Category
4121:Category
3850:Electron
3817:Emission
3767:emission
3724:Vibronic
3551:Category
3507:Molecule
3444:See also
2869:Physical
2522:(1963).
2500:(1961).
2460:(1959).
2355:33256081
2296:16508692
2114:: 1–16.
2040:33523981
2032:14523911
1845:30486649
1572:29142693
1489:16428685
1235:(1963).
1111:See also
1032:angles,
904:Proteins
853:molecule
659:aromatic
613:and the
555:1:3:3:1
294:NMR tube
200:-cooled
113:proteins
79:isotopic
61:), is a
4187:Isotope
4180:isotope
4133:Commons
3960:ESR/EPR
3908:Nucleon
3736:(REMPI)
3563:Commons
3527:Alchemy
3043:Organic
2346:7731413
2287:1343520
2227:Methods
1903:Bibcode
1563:5656982
829:acronym
770:roofing
740:menthol
694:doublet
682:quartet
670:triplet
591:ethanol
560:Quintet
311:isotope
224:History
40:HWB-NMR
4356:- CDCl
3974:Others
3762:Atomic
3575:Portal
2721:UV-Vis
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1272:
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1009:, and
847:, and
825:2D-NMR
816:2D-NMR
777:method
655:cyclic
576:Septet
568:Sextet
547:1:2:1
118:proton
4430:- (C
4392:- (CD
4378:- (CD
4329:- (CD
3915:Alpha
3884:Auger
3862:X-ray
3829:Gamma
3807:X-ray
3740:Raman
3651:Raman
3646:FT-IR
2748:MALDI
2716:Raman
2614:Vespa
2608:relax
2126:S2CID
2036:S2CID
1849:S2CID
1266:(PDF)
1011:P NMR
1007:N NMR
1003:C NMR
742:with
396:shims
370:(CDCl
315:Tesla
186:shims
4420:- CD
4386:NCOD
4365:- CD
3502:Atom
2770:HPLC
2550:ISBN
2528:ISBN
2506:ISBN
2468:ISBN
2351:PMID
2333:ISSN
2292:PMID
2274:ISSN
2204:ISSN
2165:ISSN
2087:ISBN
2059:ISBN
2028:PMID
1942:ISBN
1841:PMID
1686:ISSN
1647:ISSN
1606:ISBN
1568:PMID
1485:PMID
1423:ISBN
1367:2014
1283:2018
1270:ISBN
1241:ISBN
1052:and
849:HMBC
845:HMQC
841:HSQC
833:COSY
657:and
539:1:1
266:spin
244:and
126:spin
120:and
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4400:S=O
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4337:C=O
4178:by
3943:NMR
3512:Ion
2743:ICP
2726:NMR
2436:doi
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2323:doi
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2235:doi
2196:doi
2157:doi
2116:doi
2020:doi
1995:doi
1934:doi
1911:doi
1876:doi
1833:doi
1829:140
1678:doi
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1558:PMC
1550:doi
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1481:106
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987:RNA
985:or
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928:kDa
615:−CH
499:In
400:ppb
323:MHz
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