Magnetic Resonance in Chemistry

Papers
(The median citation count of Magnetic Resonance in Chemistry is 0. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-11-01 to 2024-11-01.)
ArticleCitations
Prediction of chemical shift in NMR: A review48
Computer Assisted Structure Elucidation (CASE): Current and future perspectives36
Computational1H and13C NMR in structural and stereochemical studies22
Quantum chemical calculations of77Se and125Te nuclear magnetic resonance spectral parameters and their structural applications20
Multiplatform untargeted metabolomics17
NMReDATA: Tools and applications15
Recent progress in solid‐state nuclear magnetic resonance of half‐integer spin low‐γ quadrupolar nuclei applied to inorganic materials15
Towards large‐scale steady‐state enhanced nuclear magnetization with in situ detection15
35Cl–1H Heteronuclear correlation magic‐angle spinning nuclear magnetic resonance experiments for probing pharmaceutical salts14
The NMR added value to the green foodomics perspective: Advances by machine learning to the holistic view on food and nutrition14
Magnetic shielding of parahydrogen hyperpolarization experiments for the masses14
Analysis of water content in wood material through 1D and 2D 1H NMR relaxometry: Application to the determination of the dry mass of wood13
Looking into the dynamics of molecular crystals of ibuprofen and terephthalic acid using 17O and 2H nuclear magnetic resonance analyses12
Efficient transfer of DNP‐enhanced 1H magnetization to half‐integer quadrupolar nuclei in solids at moderate spinning rate12
Extension and improvement of the methanol‐d4NMR thermometer calibration12
Field‐stepped ultra‐wideline NMR at up to 36 T: On the inequivalence between field and frequency stepping12
Benchtop nuclear magnetic resonance spectroscopy in forensic chemistry12
SMART‐Miner: A convolutional neural network‐based metabolite identification from 1H‐13C HSQC spectra12
A pilot study for fragment identification using 2D NMR and deep learning11
Applicable and cost‐efficient microplastic analysis by quantitative 1H‐NMR spectroscopy using benchtop NMR and NoD methods10
Computational 199Hg NMR10
15N hyperpolarisation of the antiprotozoal drug ornidazole by Signal Amplification By Reversible Exchange in aqueous medium10
Complete Reduction to Amplitude Frequency Table (CRAFT)—A perspective10
Hyperpolarization of common antifungal agents with SABRE9
Computational 1H and 13C NMR of the trimeric monoterpenoid indole alkaloid strychnohexamine: Selected spectral updates9
Prediction of 15N chemical shifts by machine learning9
On the use of radio‐frequency offsets for improving double‐quantum homonuclear dipolar recoupling of half‐integer‐spin quadrupolar nuclei9
Non‐uniform sampling for NOESY? A case study on spiramycin9
A data‐oriented approach to making new molecules as a student experiment: artificial intelligence‐enabling FAIR publication of NMR data for organic esters9
Study of the premicellar state in aqueous solutions of sodium dodecyl sulfate by nuclear magnetic resonance diffusion8
Calculated and experimental 1H and 13C NMR assignments for cannabicitran8
An insight into tapioca and wheat starch gelatinization mechanisms using TD‐NMR and complementary techniques8
Investigation of the surfactant distribution in oil‐in‐water emulsions during the crystallization of the dispersed phase via nuclear magnetic resonance relaxometry and diffusometry8
Optimisation of spatially‐encoded diffusion‐ordered NMR spectroscopy for the analysis of mixtures8
Simultaneous 15N polarization of several biocompatible substrates in ethanol–water mixtures by signal amplification by reversible exchange (SABRE) method8
A 43Ca nuclear magnetic resonance perspective on octacalcium phosphate and its hybrid derivatives8
Rapid nuclear magnetic resonance data acquisition with improved resolution and sensitivity for high‐throughput metabolomic analysis8
Efficient J‐oriented tin basis sets for the correlated calculations of indirect nuclear spin–spin coupling constants8
Elucidating structure and dynamics of crystalline α‐zirconium phosphates intercalated with water and methanol by multinuclear solid‐state MAS NMR: A comprehensive NMR approach8
17O solid‐state NMR at ultrahigh magnetic field of 35.2 T: Resolution of inequivalent oxygen sites in different phases of MOF MIL‐53(Al)8
In situ 13C solid‐state polarization transfer NMR to follow starch transformations in food7
Contact‐mediated nucleation in melt emulsions investigated by rheo‐nuclear magnetic resonance7
Computational NMR of charged systems7
Benchmark accuracy of predicted NMR observables for quadrupolar 14N and 17O nuclei in molecular crystals7
Evaluation of double‐tuned single‐sided planar microcoils for the analysis of small 13C enriched biological samples using 1H‐13C 2D heteronuclear correlation NMR spect7
Dedicated NMR sensor to analyze relaxation and diffusion in liquids and its application to characterize lubricants7
A structural investigation of organic battery anode materials by NMR crystallography6
27Al NMR diffusometry of Al13 Keggin nanoclusters6
Identifying molecular functional groups of organic compounds by deep learning of NMR data6
Azo‐hydrazone molecular switches: Synthesis and NMR conformational investigation6
Application of aromatic amide‐derived atropisomers as chiral solvating agents for discrimination of optically active mandelic acid derivatives in 1H nuclear magnetic resonance spectroscopy6
The aug‐cc‐pVTZ‐J basis set for the p‐block fourth‐row elements Ga, Ge, As, Se, and Br6
Computational simulation of 1H NMR profiles of complex biofluid analyte mixtures at differential operating frequencies: Applications to low‐field benchtop spectra6
Single experiment measurement of residual dipolar couplings in aqueous solution using a biphasic bisperylene imide chromonic liquid crystal6
Four‐component relativistic calculations of NMR shielding constants of the transition metal complexes. Part 1: Pentaammines of cobalt, rhodium, and iridium5
Applications of machine learning and artificial intelligence in NMR5
Broadband adiabatic inversion cross‐polarization to integer‐spin nuclei with application to deuterium NMR5
Nuclear magnetic resonance/magnetic resonance imaging on lubricating greases: Observation of bleeding and aging5
Differentiation among dairy products by combination of fast field cycling NMR relaxometry data and chemometrics5
SABRE‐enhanced real‐time pure shift NMR spectroscopy5
Validation of temperature‐controlled rheo‐MRI measurements in a submillimeter‐gap Couette geometry5
Density functional theory calculations of δ(13C) and δ(1H) chemical shifts and 3J(13COO1H) coupling constants as structur5
Micellar and solubilizing properties of rhamnolipids5
Detection, discrimination and quantification of amphetamine, cathinone and nor‐ephedrine regioisomers using benchtop 1H and 19F nuclear magnetic resonance spectroscopy5
A supramolecular and liquid crystalline water‐based alignment medium based on azobenzene‐substituted 1,3,5‐benzenetricarboxamides5
Application of 1,1‐ADEQUATE and DFT to correct13C misassignments of carbonyl chemical shifts for carbapenem antibiotics4
Synthesis of a novel naphthalenone endoperoxide and structural elucidation by nuclear magnetic resonance spectroscopy and theoretical calculation4
19F‐detected dual‐optimized inverted 1JCC 1,n‐ADEQUATE4
Portable single‐sided NMR measurements at variable temperatures: Implementation of a thermo‐controlled device and application to the heating of bread dough4
Sensitivity of 31P NMR chemical shifts to hydrogen bond geometry and molecular conformation for complexes of phosphinic acids with pyridines4
Solution state structure and equilibria of lanthanide (fod)3 complexes revisited: A 1H, 13C and 19F nuclear magnetic resonance study of Eu(fod)34
Structure elucidation of a new bicoumarin derivative from the leaves of Dysoxylum parasiticum (Osbeck) Kosterm.4
Practical considerations for working with graphene oxide as alignment media for RDC measurements4
Recent advances in the liquid‐phase 6,7Li nuclear magnetic resonance4
Influences of polarizability effect of alkyl group and homoring competition effect of substituents on the NMR spectra of salen‐type Schiff base4
MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum4
Solid‐state nuclear magnetic resonance of spin‐9/2 nuclei 115In and 209Bi in functional inorganic complex oxides4
Acrylamide derivatives: A dynamic nuclear magnetic resonance study4
Unexpected structural/motional mode of water intercalated into an α‐crystalline zirconium phosphate deduced by 31P and 2H solid‐state MAS NMR spectra4
NMR internal standard signal shifts due to cyclodextrin inclusion complexes4
Crews' rule—Still useful but often misquoted4
Use of carbon‐13 NMR to identify known natural products by querying a nuclear magnetic resonance database—An assessment4
Application of 1D 15N and band‐selective 2D 1H‐15N CLIP‐HSQMBC to detect 35/37Cl isotope effect on nitrogen for unequivocal structure elucidation of the N‐C4
Development of 19F‐detected 1,1‐ADEQUATE for the characterization of polyfluorinated and perfluorinated compounds4
Interpretation of EPR and optical spectra of Ni(II) ions in crystalline lattices at ambient temperature4
Evaluation of alumina slurry dispersion by nuclear magnetic resonance relaxation as a comparison to conventional dispersion evaluation methods4
Triterpenes and limonoids of Cedrela: Distribution, biosynthesis, and 1H and 13C NMR data4
Fluorine spin–spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels3
A holistic NMR framework to understand environmental impact: Examining the impacts of superparamagnetic iron oxide nanoparticles (SPIONs) in Daphnia magna via imaging, spectroscopy, 3
An approach to fast 2D nuclear magnetic resonance at low concentration based on p‐H2‐induced polarization and nonuniform sampling3
Automated identification and quantification of metabolites in human fecal extracts by nuclear magnetic resonance spectroscopy3
NMR spectral fingerprint patterns as diagnostics for the unambiguous configurational analysis of the classic organo‐gelator 1,3:2,4‐dibenzylidene‐d‐sorbitol (DBS) and its derivatives3
Plain 1H nuclear magnetic resonance analysis streamlines the quality control of antiviral favipiravir and congeneric World Health Organization essential medicines3
Corrected solid‐state 13C nuclear magnetic resonance peak assignment and side‐group quantification of hydroxypropyl methylcellulose acetyl succinate pharmaceutical excipients3
Application of accelerated heteronuclear single quantum coherence experiments to the rapid quantification of monosaccharides and disaccharides in dairy products3
Revisiting the structure of Heliannuol L: A computational approach3
The powder X‐band electron paramagnetic resonance spectroscopy of septet pyridyl‐2,4,6‐trinitrene3
Identification of seven psychedelic 2,5‐dimethoxy‐phenylethyl‐amine‐based designer drugs via benchtop 1H nuclear magnetic resonance spectroscopy3
Choice of computational protocol for carbon‐lithium spin–spin coupling constants 1JCLi3
Accurate measurements of self‐diffusion coefficients with benchtop NMR using a QM model‐based approach3
NMR characterization of streptogramin B and L‐156,587, a non‐synergistic pair of the streptogramin family antibiotic complexes produced inductively by a combined culture of Streptomyces albogr3
Phthalide metabolites produced by mangrove endophytic fungusPestalotiopsissp. SAS43
Through‐space 11B–27Al correlation: Influence of the recoupling channel3
You cannot fight the pressure: Structural rearrangements of active pharmaceutical ingredients under magic angle spinning3
Computational NMR of natural products: On the way to super large molecules exemplified with alasmontamine A3
Distance measurements to quadrupolar nuclei: Evolution of the rotational echo double resonance technique3
Supercritical CO2 impregnation process applied to polymer samples preparation for dynamic nuclear polarization solid‐state NMR3
Steric and electronic effects on the 1H hyperpolarisation of substituted pyridazines by signal amplification by reversible exchange3
LnDOTA‐d8, a versatile chemical‐shift thermometer for 2H solid‐state NMR3
Quantitative MRI analysis of structural changes in tomato tissues resulting from dehydration3
Present and future of pure shift NMR in metabolomics3
Detecting pore size distribution of activated carbon by low‐field nuclear magnetic resonance3
Computer‐assisted structure elucidation (CASE): Current and future perspectives3
Stereoelectronic interactions: A booster for 4JHF transmission3
1H and 13C NMR spectral assignments of nineteen 5‐(3,5‐dimethoxyphenyl)‐3‐(2‐methoxyphenyl)‐2‐pyrazoline derivatives3
Nuclear magnetic resonance relaxometry to monitor chromium (VI) reduction by hydrogen peroxide, ascorbic acid, and aluminum powder3
Solid‐state NMR spectroscopy as a powerful tool to investigate the location of fluorinated lipids in highly porous hybrid organic–inorganic nanoparticles3
17O nuclear magnetic resonance: Recent advances and applications3
Combined application of DP4+ and ANN‐PRA to determine the relative configuration of natural products: The alpha‐bisabol case study2
Structural applications of the isotropic liquid‐phase deuterium nuclear magnetic resonance2
1H and 13C NMR spectral assignment of 29 N′‐(3‐([1,1′‐biphenyl]‐4‐yl)‐1‐phenyl‐1H‐pyrazol‐4‐yl)acylhydrazones2
Ambient temperature 1H/13C NMR spectra of sodium 3‐(trimethylsilyl)propane‐1‐sulfonate (DSS) in D2O referenced to external TMS: A discussion of these and closely relat2
Anisotropic NMR data acquisition with a prototype 400 MHz cryogen‐free NMR spectrometer2
Theoretical studies of the concentration dependences of dd transition band, g factors, and local distortion for V4+ in Li2O–PbO–B2O3–P2
Monitoring live mitochondrial metabolism in real‐time using NMR spectroscopy2
Penindolacid A, a new indole alkaloid from the marine‐derived fungus Penicillium sp.2
Predicting 51V nuclear magnetic resonance observables in molecular crystals2
A sulfur‐33 nuclear quadrupole resonance study of 33S2‐labeled L‐cystine2
Tritium NMR: A compilation of data and a practical guide2
J‐modulated 19F‐ and 1H‐detected dual‐optimized inverted 1JCC 1,n‐ADEQUATE: A universal ADEQUATE experiment2
Solid‐state 35/37Cl NMR detection of chlorine atoms directly bound to paramagnetic cobalt(II) ions in powder samples2
A method for increasing the solubility of industrial azo pigments for 13C and 1H NMR spectra and the assignments of their 13C and 1H NMR peaks2
Forensic applications of high‐resolution NMR spectroscopy in the identification of novel psychoactive substances and the quantitation of methamphetamine2
Revisiting aliasing noise to build more robust sparsity in nonuniform sampling 2D‐NMR2
The assignment of 11B and 1H resonances in the post‐reaction mixture from the dry synthesis of Li(BH3NH2BH2NH2BH3)2
Analysis of complex mixtures with benchtop nuclear magnetic resonance: Solvent suppression with T2 and diffusion filters2
Selenate—An internal chemical shift standard for aqueous 77Se NMR spectroscopy2
Determination of base oil content in lubricating greases by NMR2
Can simple ‘molecular’ corrections outperform projector augmented‐wave density functional theory in the prediction of 35Cl electric field gradient tensor parameters for chlorine‐containing 2
Structure elucidation of a new lanostane triterpene from Gabonese Ganoderma orbiforme fruiting bodies2
Complete 1H and 13C assignments of two new sesquiterpenoids from Dendrobium aduncum2
Complete 1H, 13C, and 15N assignments of the minor isomer of codeine N‐oxide2
A low‐temperature dynamic 1H, 13C, and 77Se NMR study of 2,2′‐selenodicyclohexanol2
Solid‐state nuclear magnetic resonance study of polymorphism in tris(8‐hydroxyquinolinate)aluminium2
Dynamic and molecular association in premicellar aqueous solutions of dicarboxylate amino acid‐based surfactant as studied by 1H NMR2
An easy‐to‐use and general nuclear magnetic resonance method for the determination of partition coefficients of drugs and natural products2
The deactivation of acidic sites of NiMo/B2O3–Al2O3 catalysts during vegetable oil hydrodeoxygenation studied by EPR spectroscopy2
Effect of the chemical structure of a tetradentate equatorial ligand on the spin‐crossover properties of the Fe (III) complexes chain structures: Electron paramagnetic resonance study2
Hydrogen bond formation may enhance RDC‐based discrimination of enantiomers1
Heterogeneous Overhauser‐DNP on 1H dominated by scalar coupling in aqueous solution1
On the geometry dependence of the nuclear magnetic resonance chemical shift of mercury in thiolate complexes: A relativistic density functional theory study1
A static and dynamic NMR study of 10‐hydrazino‐BODIPY1
The effect of tube quality on externally calibrated quantitative nuclear magnetic resonance analysis: How bad can it be?1
13C‐depleted algae as food: Permitting background free in‐vivo nuclear magnetic resonance of Daphnia magna at natural abundance1
Evaluation of NMR predictors for accuracy and ability to reveal trends in 1H NMR spectra of fatty acids1
Sensitivity considerations on denoising series of spectra by singular value decomposition1
Density functional theory‐nuclear magnetic resonance‐validated full structure elucidation of theionbrunonine C, an unstable N‐oxide theionbrunonine from Mostuea brunonis1
Charting the solid‐state NMR signals of polysaccharides: A database‐driven roadmap1
Discrimination of stereoisomers by one‐dimensional 13C NMR: All 16 stereoisomers of 4‐hydroxy‐α‐tocopherol resolved1
Solution and solid‐state 33S NMR studies of 33S‐labeled taurine1
Stereochemical dependence of substituent γ‐effects in the 19F NMR shielding constants1
Synthesis and characterization of novel conformers of (E)2‐(3‐nitro‐H‐imidazo[1,2‐a]pyridin‐2‐ylthio)‐N′‐benzylideneacetohydrazide derivatives1
Structure revision of the aporphine zizyphusine alkaloid from Semen Ziziphi Spinosae1
Non‐uniform sampling to enhance the performance of compact NMR for characterizing new psychoactive substances1
The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5‐(CF3)2Pz]Ag}31
Tautomerism of pyridinylbutane‐1,3‐diones: An NMR and DFT study1
Deuterium solid‐state NMR quadrupolar order rotating frame relaxation with applications to amyloid‐β fibrils1
Molecular precursors to produce para‐hydrogen enhanced metabolites at any field1
Automated qualitative and quantitative analysis of complex forensic drug samples using 1H NMR1
Input layer regularization for magnetic resonance relaxometry biexponential parameter estimation1
Pure shift FESTA: An ultra‐high resolution NMR tool for the analysis of complex fluorine‐containing spin systems1
Reactivation of Ni‐TiO2 catalysts in hydrogen flow and in supercritical 2‐propanol—Comparative study by electron spin resonance in situ1
Computational studies of [1]benzothieno[2,3‐c]naphtho[1,2‐f]quinoline1
A comparable study of the optical spectra and EPR parameters for 3d1‐ and 3d9‐doped MgNH4PO4·6H2O1
Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry1
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Structural determination of four manufacturing impurities of D&C Red No. 331
Automated nuclear magnetic resonance fingerprinting of mixtures1
Computational 19F NMR of trifluoromethyl derivatives of alkenes, pyrimidines, and indenes1
Structure elucidation of olasubscorpioside C, a new rotameric biflavonoid glycoside from the stem barks of Olax subscorpioidea (Oliv)1
Solid‐state 31P and 109Ag CP/MAS NMR as a powerful tool for studying of silver(I) complexes with N‐thiophosphorylated thiourea and thioamide ligands1
Anomalous 1H NMR chemical shift behavior of substituted benzoic acid esters1
Density functional theory calculations of copper‐doped rutile crystals: Local structural, electronic, optical, and electron paramagnetic resonance properties1
Simple MATLAB and Python scripts for multi‐exponential analysis1
Characterization of the sodium binding state in several food products by23Na nuclear magnetic resonance spectroscopy1
Distinguishing between COOH, COO, and hydrogen disordered COOH sites in solids with 13C chemical shift anisotropy and T1 measurements1
Applications of alternative sampling methods1
Development of a method to determine the SFC in the fat phase of emulsions using TD‐NMR FID‐CPMG deconvolution1
Investigations on the local structure and the spin Hamiltonian parameters for Cu2+ in xCuO−(68−x)V2O5−32TeO2 glasses1
Structural analysis of unstable norbixin isomers guided by pure shift nuclear magnetic resonance1
EPR characterization of Cu/Al‐Zr‐Ce ethanol dehydrogenation catalysts: Active site development and coking control1
Differentiation of patients with and without prostate cancer using urine 1H NMR metabolomics1
Studies on the local structure and spin Hamiltonian parameters for V4+ in Na2O–PbO–Bi2O3–SiO2 glass ceramics1
Echo pulses for background suppression by optimal control1
CAT on MOUSE: Control and automation of temperature for single‐sided NMR instruments such as NMR‐MOUSE1
Time domain NMR: An alternative for study of the asphaltenes precipitated in petroleum1
Recent advances in solid‐state nuclear magnetic resonance spectroscopy of quadrupolar nuclei1
Effect of Solvent on the Optical Rotation of Azatryptophan Derivatives0
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Overcoming NMR line broadening of nitrogen containing compounds: A simple solution0
Deciphering molecular structures: NMR spectroscopy and quantum mechanical insights of halogenated 4H‐Chromenediones0
The rise of the machines in chemistry0
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Simulation of oriented NMR spectra: Combining molecular dynamics and chemical shift tensor calculations0
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A robust t1 noise suppression method in NMR spectroscopy0
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Investigations on the defect structures for Mn2+ in CdSe nanocrystals and bulk materials and the criterion of occupation for Mn2+ in CdX (X = S, Se, Te) nanocrystals0
Benchtop nuclear magnetic resonance performance evaluation according to ASTM E691–22 on a population of instruments: Molar substitution determination in hydroxypropyl betadex as a case study for use i0
PDSFit: PDS data analysis in the presence of orientation selectivity, g‐anisotropy, and exchange coupling0
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Contributions towards variable temperature shielding for compact NMR instruments0
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Structural elucidation and complete NMR spectral assignments of Monascus monacolin analogues0
Understanding the Interactions of Nanoparticles and Dissolved Organic Matter at the Molecular Level by 1H 2D Multi‐Exponential Transverse Relaxation NMR Spectroscopy0
Recent advances in liquid‐phase NMR of the coal‐derived products0
Compositional analysis of multilayered plastic constituents and constituent mixtures using benchtop 1H NMR spectroscopy0
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NMR in forensics0
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6aH‐Benzo[α]fluorene: NMR evidence of the unexpected product of the reaction of butyryl chloride with 1,2‐diphenylacetylene0
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Computational NMR of carbohydrates: 1. Glucopyranoses0
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Full configurational and conformational analysis of artemisinin by one‐bond carbon–carbon residual dipolar couplings at natural abundance0
The combination of inorganic phosphate and pyrophosphate 31P‐NMR for the electrodeless pH determination in the 5–12 range0
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Quantitative at‐line monitoring of enzymatic hydrolysis using benchtop diffusion nuclear magnetic resonance spectroscopy0
Multinuclear 1H/13C/15N chemical shift assignment of therapeutic octreotide acetate performed at natural abundance0
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Deciphering the Conformations of Glutathione Oxidized Peptide: A Comparative NMR Study in Solution and Solid‐State Environments0
Quantitative NMR using water as internal calibrant0
Stereochemical assignment of four monoterpene glucoside derivatives from Turpinia montana Kurz by NMR study combined with CD spectroscopy0
Potential of multiparametric characterization of foodstuffs by nuclear magnetic resonance to better predict microbial behavior0
Polarization transfer methods for quantitative analysis of flowing mixtures with benchtop 13C NMR spectroscopy0
An investigation of the role of transition metal ions impurities in CdO: Local structure and electronic properties0
To Gibbs or Not to Gibbs Effect of Entropic Contribution in the NMR Calculations of Flexible and Polar Molecules—Updating the DP4+App0
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A new amide from the fruiting bodies of Tricholoma bakamatsutake0
Structural elucidation of lactone derivatives from Dendrobium pendulum0
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NMR structural characterization from one‐bond 13C–13C couplings—Complete assignment of a hydrogen‐poor depsidone0
Characterization of fatty acid forms using benchtop NMR in omega‐3 oil supplements0
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