Magnetic Resonance in Chemistry

Article	Citations
An Empirical Equation to Transform 11B GIAO‐Calculated Absolute Shieldings (σ, ppm) in Chemical Shifts (δ, ppm)	70
Molecular Basis of UG‐Rich Element Recognition by ESRP2 RRM3	38
Non‐uniform sampling to enhance the performance of compact NMR for characterizing new psychoactive substances	32
Unlocking the Chemical Diversity of Plant Catharanthus roseus : Nuclear Magnetic Resonance Spectro	26
NMR Spectroscopic Reference Data of Synthetic Cannabinoids Sold on the Internet	23
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Probing Pedogenetic Imprints and Functional Properties of Moroccan Clayey Materials Through FFC NMR Relaxometry	17
Quantitative Solid‐State NMR Spectroscopy (qSSNMR) in Pharmaceutical Analysis	16
Issue Information	14
Quantitative NMR using water as internal calibrant	13
Nuclear magnetic resonance/magnetic resonance imaging on lubricating greases: Observation of bleeding and aging	12
Revisiting the structure of Heliannuol L: A computational approach	12
Compositional analysis of multilayered plastic constituents and constituent mixtures using benchtop 1H NMR spectroscopy	12
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The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5‐(CF3)2Pz]Ag}3	11
Determination of the pKa Value of a Brønsted Acid by 19F NMR Spectroscopy	10
Issue Information	10
Contributions towards variable temperature shielding for compact NMR instruments	9
History of NMR in India	9
Intracellular pyruvate–lactate–alanine cycling detected using real‐time nuclear magnetic resonance spectroscopy of live cells and isolated mitochondria	8
NMR spectroscopic discrimination of the enantiomer pairs of soman and bispinacolyl‐methylphosphonate and detailed analysis of the pinacolyl group 1H NMR resonances	8
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A robust t1 noise suppression method in NMR spectroscopy	8
Solid‐State NMR‐Assisted Dynamic Characterization of two Isostructural Solvates of 5α‐Bromo‐6β,19‐Epoxy‐Androstan‐3β,17β‐Diol Diacetate	8
6aH‐Benzo[α]fluorene: NMR evidence of the unexpected product of the reaction of butyryl chloride with 1,2‐diphenylacetylene	8

Anisotropic NMR Spectroscopy	7
Automated Data Processing Workflows for Non‐Expert Users of NMR Facilities	7
Computational 1H and 13C NMR in structural and stereochemical studies	7
Liquid‐phase NMR of asphaltenes	7
A reliable external calibration method for reaction monitoring with benchtop NMR	7
Determination of self‐diffusion coefficients in mixtures with benchtop 13C NMR spectroscopy via polarization transfer	7
Revisiting aliasing noise to build more robust sparsity in nonuniform sampling 2D‐NMR	7
Brewing alcohol 101: An undergraduate experiment utilizing benchtop NMR for quantification and process monitoring	7
A structural investigation of organic battery anode materials by NMR crystallography	6
Theoretical studies of the concentration dependences of d–d transition band, g factors, and local distortion for V4+ in Li2O–PbO–B2O3–P	6
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Molecular precursors to produce para‐hydrogen enhanced metabolites at any field	6
Meet the new members of the associate editorial board	6
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Distinguishing between COOH, COO−, and hydrogen disordered COOH sites in solids with 13C chemical shift anisotropy and T1 measurements	6
Solvent‐Based NMR Approaches for the Assessment of Molecular Interactions: A Review of Current Practices	6
HRMAS NMR for Studying Solvent‐Induced Mobility of Polymer Chains and Metallocene Migration Into Low‐Density Polyethylene (LDPE)	5
Characterization of the sodium binding state in several food products by 23Na nuclear magnetic resonance spectroscopy	5
Prediction of chemical shift in NMR: A review	5
Investigation of the surfactant distribution in oil‐in‐water emulsions during the crystallization of the dispersed phase via nuclear magnetic resonance relaxometry and diffusometry	5
Supercritical CO2 impregnation process applied to polymer samples preparation for dynamic nuclear polarization solid‐state NMR	5
Cover Picture	5
Quantitative MRI analysis of structural changes in tomato tissues resulting from dehydration	5
Quantum Chemical NMR Spectroscopic Structural Analysis in Solution: The Investigation of 3‐Indoleacetic Acid Dimer Formation in Chloroform and DMSO Solution	5
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Evaluation of Automatic Analysis Software for 1 H NMR Spectra Quantification. Impact of Signal Broadening and EDTA Addition	5
NMR and Chemometric Analysis of Verbascoside and Isoverbascoside Produced in Tecoma stans In Vitro Cultures	5
Echo pulses for background suppression by optimal control	5
Portable single‐sided NMR measurements at variable temperatures: Implementation of a thermo‐controlled device and application to the heating of bread dough	5
A holistic NMR framework to understand environmental impact: Examining the impacts of superparamagnetic iron oxide nanoparticles (SPIONs) in Daphnia magna via imaging, spectroscopy,	5
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Pure shift FESTA: An ultra‐high resolution NMR tool for the analysis of complex fluorine‐containing spin systems	5
NMR Insights Into Stress‐Induced Modulation of the Monomer–Dimer Equilibrium in a Small Heat Shock Protein	5
The efficiency of micellar solubilization of naphthalene from aqueous solutions using rhamnolipid as a biological surfactant according to NMR diffusometry	5
Quantitative sodium magnetic resonance imaging in food: Addressing sensitivity issues using single quantum chemical shift imaging at high field	5
Two New Alkaloids of the Endophytic Fungus Rhizopus oryzae From Atractylodes macrocephala Koidz	4
Exploring the structure of pure germanophospate glasses with different concentrations probed by magic angle spinning NMR spectroscopy	4
1H and 13C NMR spectra of infinitene and the ring current effect of the aromatic molecule	4
Micellar Solubilization of Phenols With One or Two Hydroxyl Groups Using Biological Surfactant Rhamnolipid	4
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 i	4
Stereochemical assignment of four monoterpene glucoside derivatives from Turpinia montana Kurz by NMR study combined with CD spectroscopy	4
A sulfur‐33 nuclear quadrupole resonance study of 33S2‐labeled L‐cystine	4
Tritium NMR: A compilation of data and a practical guide	4
Low‐field, not low quality: 1D simplification, selective detection, and heteronuclear 2D experiments for improving low‐field NMR spectroscopy of environmental and biological samples	4
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Recent advances in liquid‐phase NMR of the coal‐derived products	4
Analysis of complex mixtures with benchtop nuclear magnetic resonance: Solvent suppression with T2 and diffusion filters	4

Multinuclear 1H/13C/15N chemical shift assignment of therapeutic octreotide acetate performed at natural abundance	4
A new amide from the fruiting bodies of Tricholoma bakamatsutake	4
Four‐component relativistic calculations of NMR shielding constants of the transition metal complexes. Part 1: Pentaammines of cobalt, rhodium, and iridium	4
DOSY NMR Experiments at Variable Temperature. A Thorough Analysis of Optimal Conditions for Reliable Results	4
Through‐space H‐F coupling in a series of 4‐substituted‐1H‐1,2,3‐triazoles	4
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The Mechanism of [IrCl6]2− Complex Transformation in Acetone Solutions Studied by EPR and UV–Vis Spectroscopy	4
Computational 199Hg NMR	4
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CAT on MOUSE: Control and automation of temperature for single‐sided NMR instruments such as NMR‐MOUSE	3
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Metabolic Reprogramming in Pheochromocytoma and Paraganglioma: Insights From Untargeted NMR Metabolomics Presurgical and Postsurgical intervention	3
Differentiation of regioisomeric N‐alkylation of some indazoles and pyrazolopyridines by advanced NMR techniques	3
Potential of multiparametric characterization of foodstuffs by nuclear magnetic resonance to better predict microbial behavior	3
Nuclear magnetic resonance‐based structural elucidation of novel marine glycans and derived oligosaccharides	3
The assignment of 11B and 1H resonances in the post‐reaction mixture from the dry synthesis of Li(BH3NH2BH2NH2BH3)	3
Revisiting the Structure of Cacospongionolide E: An Approach Based on Empirical Rules and NMR Calculations	3
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Interpretation of EPR and optical spectra of Ni(II) ions in crystalline lattices at ambient temperature	3
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Solution and solid‐state 33S NMR studies of 33S‐labeled taurine	3
Effects of Processing Methods on the Physical Properties of Aquafaba Powder: Time‐Domain Nuclear Magnetic Resonance Analysis	3
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Structure Elucidation of New Kavalactone Dimers From Alpinia zerumbet Pericarps Using NMR Calculat	3
Charting the solid‐state NMR signals of polysaccharides: A database‐driven roadmap	3
Analytical Comparison of Two Quantitative HSQC Methods for the Absolute Quantitation of Metabolites	3
Frontiers in NMR metabolomics	3
You cannot fight the pressure: Structural rearrangements of active pharmaceutical ingredients under magic angle spinning	3
Benchmark accuracy of predicted NMR observables for quadrupolar 14N and 17O nuclei in molecular crystals	3
Tutorial: Saturation Transfer Difference NMR for Studying Small Molecules Interacting With Nanoparticles	3
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Solid‐state 35/37Cl NMR detection of chlorine atoms directly bound to paramagnetic cobalt(II) ions in powder samples	2
Benchtop/cryofree NMR	2
Liquid‐Phase NMR of Humic and Fulvic Acids	2
Experimental and Computational NMR Studies of Large Alkaloids Exemplified With Vindoline Trimer: Advantages and Limitations	2
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Curvulomycin E, a New Resorcylic Acid Lactone From the Beibu Gulf Coral‐Derived Fungus Curvularia lunata GXIMD 02512	2
Theoretical Studies on the EPR Parameters and Local Structures for the Orthorhombic and Tetragonal Cu2+ Centers in Cu1−xHxZr2(PO4)<	2
Quantification of mRNA Using 31P NMR Spectroscopy and CRAFT	2
Theoretical investigations on the defect structures and g factors for V4+ in 30PbO‐5Bi2O3‐(65‐x)SiO2 glasses at different concentrations	2
Choice of computational protocol for carbon‐lithium spin–spin coupling constants 1JCLi	2
Reaction monitoring via benchtop nuclear magnetic resonance spectroscopy: A practical comparison of on‐line stopped‐flow and continuous‐flow sampling methods	2
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An insight into tapioca and wheat starch gelatinization mechanisms using TD‐NMR and complementary techniques	2
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HSQC/F1‐PSYCHE TOCSY NOAH Supersequence for High‐Resolution NMR Analysis of Urine Metabolites	2
NMR‐Based Clinical Metabolomics Reveals Distinctive Metabolic Signatures in Systemic Sclerosis and Systemic Lupus Erythematosus	2
Dynamics of eugenol included in β‐cyclodextrin by nuclear magnetic resonance and molecular simulations	2
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Investigations on the EPR g factors and local structures for the orthorhombic and tetragonal Cu2+ centers in Pb[Zr0.54Ti0.46]O3	2
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Quantitative analysis of selected alkaloids of Mitragyna speciosa using 1H quantitative nuclear magnetic resonance spectroscopy	2
LnDOTA‐d8, a versatile chemical‐shift thermometer for 2H solid‐state NMR	2
Temperature lowering of liquid nitrogen via injection of helium gas bubbles improves the generation of parahydrogen‐enriched gas	2
Quantitative Study on the Blockage Degree of Pores Due to Asphaltene Precipitation During CO2 Flooding in Tight Reservoirs With NMR	2
Methyl α‐D‐galactopyranosyl‐(1→3)‐β‐D‐galactopyranoside and methyl β‐D‐galactopyranosyl‐(1→3)‐β‐D‐galactopyranoside: Glycosidic linkage conformation determined from MA'AT analysis	2
Anisotropic NMR data acquisition with a prototype 400 MHz cryogen‐free NMR spectrometer	2
Simple MATLAB and Python scripts for multi‐exponential analysis	2
Stereochemical dependence of substituent γ‐effects in the 19F NMR shielding constants	2
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The Optical Absorption and Electron Paramagnetic Resonance of Cu2+ Incorporated Dicalcium Lead Propionate	2
17O nuclear magnetic resonance: Recent advances and applications	2
Synthesis and Evidence for the Stereo/Region‐Specific Structure of 5,7‐Di(het)aryl‐4,5,6,7‐tetrahydro‐6‐nitroazolo[1,5‐a]pyrimidines	2
MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum	2
Proton nuclear magnetic resonance (1H NMR) of flammable organic chemicals in radioactive high‐level supernatant waste at the Savannah River Site (SRS)	1
Corrected solid‐state 13C nuclear magnetic resonance peak assignment and side‐group quantification of hydroxypropyl methylcellulose acetyl succinate pharmaceutical excipients	1
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Structural elucidation of lactone derivatives from Dendrobium pendulum	1
Theoretical studies on the local structure and spin Hamiltonian parameters for Cu2+ ions in LiTaO3 crystal	1
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Complete 1H and 13C assignments of two new sesquiterpenoids from Dendrobium aduncum	1
Monitoring Protein Deamidation in Real Time Using NMR	1
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PDSFit: PDS data analysis in the presence of orientation selectivity, g‐anisotropy, and exchange coupling	1
Computational NMR Structural Revision of Marinoaziridines A and B	1
Detecting pore size distribution of activated carbon by low‐field nuclear magnetic resonance	1
On the Use of Strong Proton Donors as a Tool for Overcoming Line Broadening in NMR: A Comment	1
Correction to “Revisiting aliasing noise to build more robust sparsity in nonuniform sampling 2D‐NMR”	1
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A supramolecular and liquid crystalline water‐based alignment medium based on azobenzene‐substituted 1,3,5‐benzenetricarboxamides	1

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Nuclear Magnetic Resonance Spectroscopic Characterization and Determination of the New Psychoactive Substance Benzylone: Application in a Biological Fluid	1
Investigating the interaction between merocyanine and glutathione through a comprehensive NMR analysis of three GSH‐stabilized merocyanine species	1
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Aqueous Carbonation of Calcium Silicates With Different Ca/Si Ratios Studied by Solid‐State NMR Spectroscopy	1
Probing Spatial Proximities Between Protons of Collagen Protein in Native Bone Using 2D 1 H Multiple Quantum Experiments Under Fast MAS NMR	1
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Position‐Specific Substitution in Cellulose Ethers Studied by DNP Enhanced Solid‐State NMR Spectroscopy	1
Applications of machine learning and artificial intelligence in NMR	1
Correction to “A reliable external calibration method for reaction monitoring with benchtop NMR”	1
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Acrylamide derivatives: A dynamic nuclear magnetic resonance study	1
A Computational Study of the NMR Chemical Shifts of Polynitropyrazoles	1
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On the geometry dependence of the nuclear magnetic resonance chemical shift of mercury in thiolate complexes: A relativistic density functional theory study	1
Recent advances in the liquid‐phase 6,7Li nuclear magnetic resonance	1
Density functional theory‐nuclear magnetic resonance‐validated full structure elucidation of theionbrunonine C, an unstable N‐oxide theionbrunonine from Mostuea brunonis	1
NMR characterization of uniformly 13C‐ and/or 15N‐labeled, unsulfated chondroitins with high molecular weights	1
Automated identification and quantification of metabolites in human fecal extracts by nuclear magnetic resonance spectroscopy	1
DFT investigation of coupling constant anomalies in substituted β‐lactams	1
Structural Elucidation and Complete NMR Spectral Assignments of Monascus Monacolin Analogs	1
Permethylation as a strategy for high‐molecular‐weight polysaccharide structure analysis by nuclear magnetic resonance—Case study of Xylella fastidiosa extracellular polysaccharide	1
Quantitative at‐line monitoring of enzymatic hydrolysis using benchtop diffusion nuclear magnetic resonance spectroscopy	1
Present and future of pure shift NMR in metabolomics	1
Deciphering molecular structures: NMR spectroscopy and quantum mechanical insights of halogenated 4H‐Chromenediones	1
Signal amplification by reversible exchange (SABRE)	1
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Sensitivity of Projections of Backbone 13Cα/15N Chemical Shielding Along Covalent Bonds to Protein Secondary Structure—An Ab Initio Study	1
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Complete 1H, 13C, and 15N assignments of the minor isomer of codeine N‐oxide	1
Computational NMR of natural products: On the way to super large molecules exemplified with alasmontamine A	1
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Dynamic NMR Simulations: A Case Study of Solution‐State CPMG‐RD and CEST Experiments	1
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Hyphenation of 2D NMR With Hydrogenative PHIP	1
Measuring and modeling anisotropy in the NMR of solids	1
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Local Structure and Optical Absorption of Mn2+ Intoxicated YPO4 Single Crystals	1
Multiscale food structures and foodomics	1
Structuring the GPCR Story Through the Lens of NMR	1
Understanding the Interactions of Nanoparticles and Dissolved Organic Matter at the Molecular Level by 1H 2D Multi‐Exponential Transverse Relaxation NMR Spectroscopy	1
Continuous‐Wave (CW) Photo‐CIDNP NMR Spectroscopy: A Tutorial	1
Elucidating structure and dynamics of crystalline α‐zirconium phosphates intercalated with water and methanol by multinuclear solid‐state MAS NMR: A comprehensive NMR approach	1
The NMR added value to the green foodomics perspective: Advances by machine learning to the holistic view on food and nutrition	1
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Predicting 51V nuclear magnetic resonance observables in molecular crystals	1
To flame‐seal or not to flame‐seal NMR tubes: The role of liquid–vapor equilibria on the accuracy of variable temperature experiments	1
Spatially Resolved 13C NMR Spectroscopy in Bimesophasic Samples Applied to Molecular Analysis in Orienting Media	1
A Magnetic Resonance Study of Temperature Responsive Volume Phase Transition in a Hydrogel and Its Concurrent Release of Drug Carrier Molecules	0
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 relat	0
Structure revision of the aporphine zizyphusine alkaloid from Semen Ziziphi Spinosae	0
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3D‐Printed Device for Efficient Packing of Semisolid Samples in 3.2‐mm Rotors Used in Cryoprobe Systems	0
Are the Structural Analogues and Charged Homologues of Carbones Pseudoallenes (R2C=C=CR2), Pseudocarbenes (R2C–C:−=C+R2) or Pseudocarb	0
Revealing and Modeling NMR Relaxation Processes in Tissues: Endometrial Cancer Tissue as an Example	0
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Non‐Uniform Sampling for Quantitative NOESY	0
A Collaborative Study on Platform 1H Quantitative NMR Method Using Internal Calibration Methodology: Towards Capacity Building for Novices	0
Quantitative nuclear magnetic resonance of chloride by an accurate internal standard approach	0
Use of carbon‐13 NMR to identify known natural products by querying a nuclear magnetic resonance database—An assessment	0
Development of a method to determine the SFC in the fat phase of emulsions using TD‐NMR FID‐CPMG deconvolution	0
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EPR Spectra Hyperfine Structure of Fluorine‐Containing Nitroxide Radicals in Liquid Solutions: Prediction by DFT	0
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Enhancing Forensic Laboratories Through University Collaboration: Obtaining Conclusive Reports and Reference Materials via NMR	0
Structural elucidation and complete NMR spectral assignments of Monascus monacolin analogues	0
Overcoming NMR line broadening of nitrogen containing compounds: A simple solution	0
Differentiation of patients with and without prostate cancer using urine 1H NMR metabolomics	0
Fluorine spin–spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels	0
13C NMR Studies and Orientational Order of Mesogens With Thiophene and Dimethylamino in Terminal Position	0
Can simple ‘molecular’ corrections outperform projector augmented‐wave density functional theory in the prediction of 35Cl electric field gradient tensor parameters for chlorine‐containing	0
Evaluation of NMR predictors for accuracy and ability to reveal trends in 1H NMR spectra of fatty acids	0
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Simple and Effective Identification of Local 6π‐ and Global [4n + 2] Aromaticity of Macrocyclic Conjugated Hydrocarbons by 1H/13C Chemical Shifts and the Correspond	0
Spectral Density Function Analysis Reveals Coupled Relaxation and Resonance Modes in Fluorinated Elastomers: Comparison With Semicrystalline Poly(tetrafluoroethylene)	0
Supporting the assignment of NMR spectra with variable‐temperature experiments	0
Extracting Scalar Couplings From Complex 1H NMR Spectra Using a Simple 2D J‐Resolved Sequence	0
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Stereoelectronic interactions: A booster for 4JHF transmission	0
Time domain NMR: An alternative for study of the asphaltenes precipitated in petroleum	0
Water Molecular Dynamics During Dough Heating by Fast Field Cycling Nuclear Magnetic Resonance	0
Exploring Dysregulated Plasma Metabolites in Sickle‐Cell Disease Patients Using Comparative NMR‐Based Metabolomics	0
Conformational Analysis and NMR Data Assignment of Taraxerone Isolated From Cnidoscolus aconitifolius	0
Application of time domain nuclear magnetic resonance (TD‐NMR) for study of the distillation curve of petroleum	0
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Carbon‐13 chemical shift tensor measurements for nitrogen‐dense compounds	0
KONSTANTIN L'VOVICH IVANOV	0
Dual nuclear magnetic resonance for probing intrinsic bone structure and a potential gut–bone axis in ovariectomized rats	0
Heteronuclear Two‐Dimensional NMR for Quantification of Candesartan Cilexetil	0
Structure Confirmation of Quinazolinone and Hydroindole Using Residual Dipolar Couplings From Polyarylisocyanide Liquid Crystal	0