Magnetic Resonance in Chemistry

Article	Citations
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Quantitative NMR using water as internal calibrant	24
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 study	22
Revisiting the structure of Heliannuol L: A computational approach	20
The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5‐(CF3)2Pz]Ag}3	17
Nuclear magnetic resonance/magnetic resonance imaging on lubricating greases: Observation of bleeding and aging	17
Non‐uniform sampling to enhance the performance of compact NMR for characterizing new psychoactive substances	16
NMR Spectroscopic Reference Data of Synthetic Cannabinoids Sold on the Internet	15
Unlocking the Chemical Diversity of Plant Catharanthus roseus: Nuclear Magnetic Resonance Spectroscopy Approach	15
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NMR spectroscopic discrimination of the enantiomer pairs of soman and bispinacolyl‐methylphosphonate and detailed analysis of the pinacolyl group 1H NMR resonances	14
Compositional analysis of multilayered plastic constituents and constituent mixtures using benchtop 1H NMR spectroscopy	14
Contributions towards variable temperature shielding for compact NMR instruments	13
6aH‐Benzo[α]fluorene: NMR evidence of the unexpected product of the reaction of butyryl chloride with 1,2‐diphenylacetylene	13
A robust t1 noise suppression method in NMR spectroscopy	13
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Solid‐State NMR‐Assisted Dynamic Characterization of two Isostructural Solvates of 5α‐Bromo‐6β,19‐Epoxy‐Androstan‐3β,17β‐Diol Diacetate	11
Determination of the pKa Value of a Brønsted Acid by 19F NMR Spectroscopy	11
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Determination of self‐diffusion coefficients in mixtures with benchtop 13C NMR spectroscopy via polarization transfer	10
Intracellular pyruvate–lactate–alanine cycling detected using real‐time nuclear magnetic resonance spectroscopy of live cells and isolated mitochondria	10
Revisiting aliasing noise to build more robust sparsity in nonuniform sampling 2D‐NMR	9
Liquid‐phase NMR of asphaltenes	9

A reliable external calibration method for reaction monitoring with benchtop NMR	9
Towards large‐scale steady‐state enhanced nuclear magnetization with in situ detection	9
Dynamic and molecular association in premicellar aqueous solutions of dicarboxylate amino acid‐based surfactant as studied by 1H NMR	8
Meet the new members of the associate editorial board	8
Computational1H and13C NMR in structural and stereochemical studies	8
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Brewing alcohol 101: An undergraduate experiment utilizing benchtop NMR for quantification and process monitoring	8
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Portable single‐sided NMR measurements at variable temperatures: Implementation of a thermo‐controlled device and application to the heating of bread dough	7
Quantum Chemical NMR Spectroscopic Structural Analysis in Solution: The Investigation of 3‐Indoleacetic Acid Dimer Formation in Chloroform and DMSO Solution	7
Quantitative sodium magnetic resonance imaging in food: Addressing sensitivity issues using single quantum chemical shift imaging at high field	7
HRMAS NMR for Studying Solvent‐Induced Mobility of Polymer Chains and Metallocene Migration Into Low‐Density Polyethylene (LDPE)	7
Quantitative MRI analysis of structural changes in tomato tissues resulting from dehydration	7
Theoretical studies of the concentration dependences of d–d transition band, g factors, and local distortion for V4+ in Li2O–PbO–B2O3–P	7
Prediction of 15N chemical shifts by machine learning	7
Distinguishing between COOH, COO−, and hydrogen disordered COOH sites in solids with 13C chemical shift anisotropy and T1 measurements	6
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A structural investigation of organic battery anode materials by NMR crystallography	6
Molecular precursors to produce para‐hydrogen enhanced metabolites at any field	6
Prediction of chemical shift in NMR: A review	6
The aug‐cc‐pVTZ‐J basis set for the p‐block fourth‐row elements Ga, Ge, As, Se, and Br	5
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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
Echo pulses for background suppression by optimal control	5
Low‐field, not low quality: 1D simplification, selective detection, and heteronuclear 2D experiments for improving low‐field NMR spectroscopy of environmental and biological samples	5
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Synthesis, isolation and characterisation of fluorinated‐benzimidazoisoquinoline regioisomers	5
Pure shift FESTA: An ultra‐high resolution NMR tool for the analysis of complex fluorine‐containing spin systems	5
Characterization of the sodium binding state in several food products by23Na nuclear magnetic resonance spectroscopy	5
A low‐temperature dynamic 1H, 13C, and 77Se NMR study of 2,2′‐selenodicyclohexanol	5
Evaluation of Automatic Analysis Software for 1H NMR Spectra Quantification. Impact of Signal Broadening and EDTA Addition	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
Computational NMR of charged systems	5
1H and 13C NMR spectra of infinitene and the ring current effect of the aromatic molecule	5
Four‐component relativistic calculations of NMR shielding constants of the transition metal complexes. Part 1: Pentaammines of cobalt, rhodium, and iridium	4
Density functional theory calculations of copper‐doped rutile crystals: Local structural, electronic, optical, and electron paramagnetic resonance properties	4
The efficiency of micellar solubilization of naphthalene from aqueous solutions using rhamnolipid as a biological surfactant according to NMR diffusometry	4
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Multinuclear 1H/13C/15N chemical shift assignment of therapeutic octreotide acetate performed at natural abundance	4
Stereochemical assignment of four monoterpene glucoside derivatives from Turpinia montana Kurz by NMR study combined with CD spectroscopy	4
A new amide from the fruiting bodies of Tricholoma bakamatsutake	4
Supercritical CO2 impregnation process applied to polymer samples preparation for dynamic nuclear polarization solid‐state NMR	4
Identification of seven psychedelic 2,5‐dimethoxy‐phenylethyl‐amine‐based designer drugs via benchtop 1H nuclear magnetic resonance spectroscopy	4
Exploring the structure of pure germanophospate glasses with different concentrations probed by magic angle spinning NMR spectroscopy	4
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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
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Two New Alkaloids of the Endophytic Fungus Rhizopus oryzae From Atractylodes macrocephala Koidz	4
Tritium NMR: A compilation of data and a practical guide	4

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Through‐space H‐F coupling in a series of 4‐substituted‐1H‐1,2,3‐triazoles	4
A sulfur‐33 nuclear quadrupole resonance study of 33S2‐labeled L‐cystine	4
Recent advances in solid‐state nuclear magnetic resonance spectroscopy of quadrupolar nuclei	4
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CAT on MOUSE: Control and automation of temperature for single‐sided NMR instruments such as NMR‐MOUSE	3
Differentiation of regioisomeric N‐alkylation of some indazoles and pyrazolopyridines by advanced NMR techniques	3
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Charting the solid‐state NMR signals of polysaccharides: A database‐driven roadmap	3
Recent advances in liquid‐phase NMR of the coal‐derived products	3
Unexpected structural/motional mode of water intercalated into an α‐crystalline zirconium phosphate deduced by 31P and 2H solid‐state MAS NMR spectra	3
Revisiting the Structure of Cacospongionolide E: An Approach Based on Empirical Rules and NMR Calculations	3
Potential of multiparametric characterization of foodstuffs by nuclear magnetic resonance to better predict microbial behavior	3
Structure Elucidation of New Kavalactone Dimers From Alpinia zerumbet Pericarps Using NMR Calculations	3
Analysis of complex mixtures with benchtop nuclear magnetic resonance: Solvent suppression with T2 and diffusion filters	3
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Effects of Processing Methods on the Physical Properties of Aquafaba Powder: Time‐Domain Nuclear Magnetic Resonance Analysis	3
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Frontiers in NMR metabolomics	3
Computer‐assisted structure elucidation (CASE): Current and future perspectives	3
You cannot fight the pressure: Structural rearrangements of active pharmaceutical ingredients under magic angle spinning	3
Simultaneous 15N polarization of several biocompatible substrates in ethanol–water mixtures by signal amplification by reversible exchange (SABRE) method	3
Computational 199Hg NMR	3
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Solution and solid‐state 33S NMR studies of 33S‐labeled taurine	3
Benchmark accuracy of predicted NMR observables for quadrupolar 14N and 17O nuclei in molecular crystals	3
Nuclear magnetic resonance‐based structural elucidation of novel marine glycans and derived oligosaccharides	3
Solid‐state 35/37Cl NMR detection of chlorine atoms directly bound to paramagnetic cobalt(II) ions in powder samples	2
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Choice of computational protocol for carbon‐lithium spin–spin coupling constants 1JCLi	2
Benchtop/cryofree NMR	2
Interpretation of EPR and optical spectra of Ni(II) ions in crystalline lattices at ambient temperature	2
The assignment of 11B and 1H resonances in the post‐reaction mixture from the dry synthesis of Li(BH3NH2BH2NH2BH3)	2
Experimental and Computational NMR Studies of Large Alkaloids Exemplified With Vindoline Trimer: Advantages and Limitations	2
An insight into tapioca and wheat starch gelatinization mechanisms using TD‐NMR and complementary techniques	2
Applicable and cost‐efficient microplastic analysis by quantitative 1H‐NMR spectroscopy using benchtop NMR and NoD methods	2
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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Simple MATLAB and Python scripts for multi‐exponential analysis	2
Temperature lowering of liquid nitrogen via injection of helium gas bubbles improves the generation of parahydrogen‐enriched gas	2
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Anisotropic NMR data acquisition with a prototype 400 MHz cryogen‐free NMR spectrometer	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
A pilot study for fragment identification using 2D NMR and deep learning	2
Stereochemical dependence of substituent γ‐effects in the 19F NMR shielding constants	2
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Liquid‐Phase NMR of Humic and Fulvic Acids	2
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Evaluation of double‐tuned single‐sided planar microcoils for the analysis of small 13C enriched biological samples using 1H‐13C 2D heteronuclear correlation NMR spect	2
Dynamics of eugenol included in β‐cyclodextrin by nuclear magnetic resonance and molecular simulations	2
LnDOTA‐d8, a versatile chemical‐shift thermometer for 2H solid‐state NMR	2
Calculated and experimental 1H and 13C NMR assignments for cannabicitran	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
Theoretical investigations on the defect structures and g factors for V4+ in 30PbO‐5Bi2O3‐(65‐x)SiO2 glasses at different concentrations	1
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Detecting pore size distribution of activated carbon by low‐field nuclear magnetic resonance	1
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Quantitative at‐line monitoring of enzymatic hydrolysis using benchtop diffusion nuclear magnetic resonance spectroscopy	1
Recent advances in the liquid‐phase 6,7Li nuclear magnetic resonance	1
Reaction monitoring via benchtop nuclear magnetic resonance spectroscopy: A practical comparison of on‐line stopped‐flow and continuous‐flow sampling methods	1
Corrected solid‐state 13C nuclear magnetic resonance peak assignment and side‐group quantification of hydroxypropyl methylcellulose acetyl succinate pharmaceutical excipients	1
Correction to “Revisiting aliasing noise to build more robust sparsity in nonuniform sampling 2D‐NMR”	1
Theoretical Studies on the EPR Parameters and Local Structures for the Orthorhombic and Tetragonal Cu2+ Centers in Cu1−xHxZr2(PO4)<	1
Deciphering molecular structures: NMR spectroscopy and quantum mechanical insights of halogenated 4H‐Chromenediones	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
NMR characterization of uniformly 13C‐ and/or 15N‐labeled, unsulfated chondroitins with high molecular weights	1
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Computational NMR of natural products: On the way to super large molecules exemplified with alasmontamine A	1
DFT investigation of coupling constant anomalies in substituted β‐lactams	1
Signal amplification by reversible exchange (SABRE)	1
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PDSFit: PDS data analysis in the presence of orientation selectivity, g‐anisotropy, and exchange coupling	1
Understanding the Interactions of Nanoparticles and Dissolved Organic Matter at the Molecular Level by 1H 2D Multi‐Exponential Transverse Relaxation NMR Spectroscopy	1
Predicting 51V nuclear magnetic resonance observables in molecular crystals	1
Multiscale food structures and foodomics	1
Quantitative analysis of selected alkaloids of Mitragyna speciosa using 1H quantitative nuclear magnetic resonance spectroscopy	1
Quantification of mRNA Using 31P NMR Spectroscopy and CRAFT	1
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Structural Elucidation and Complete NMR Spectral Assignments of Monascus Monacolin Analogs	1

Measuring and modeling anisotropy in the NMR of solids	1
Investigating the interaction between merocyanine and glutathione through a comprehensive NMR analysis of three GSH‐stabilized merocyanine species	1
Correction to “A reliable external calibration method for reaction monitoring with benchtop NMR”	1
17O nuclear magnetic resonance: Recent advances and applications	1
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Structure elucidation of a new lanostane triterpene from Gabonese Ganoderma orbiforme fruiting bodies	1
Structural elucidation of lactone derivatives from Dendrobium pendulum	1
The Optical Absorption and Electron Paramagnetic Resonance of Cu2+ Incorporated Dicalcium Lead Propionate	1
Nuclear Magnetic Resonance Spectroscopic Characterization and Determination of the New Psychoactive Substance Benzylone: Application in a Biological Fluid	1
Erratum: Perspectives of fast magic‐angle spinning 87Rb NMR of organic solids at high magnetic fields	1
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MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum	1
A supramolecular and liquid crystalline water‐based alignment medium based on azobenzene‐substituted 1,3,5‐benzenetricarboxamides	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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Overcoming NMR line broadening of nitrogen containing compounds: A simple solution	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
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 albogr	0
Structural elucidation and complete NMR spectral assignments of Monascus monacolin analogues	0
Studies on the EPR parameters and local angular distortion for the tetragonal Cu2+ center in CaWO4 crystal	0
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Use of carbon‐13 NMR to identify known natural products by querying a nuclear magnetic resonance database—An assessment	0
Application of time domain nuclear magnetic resonance (TD‐NMR) for study of the distillation curve of petroleum	0
Heterogeneous Overhauser‐DNP on 1H dominated by scalar coupling in aqueous solution	0
Quantitative nuclear magnetic resonance of chloride by an accurate internal standard approach	0
Time domain NMR: An alternative for study of the asphaltenes precipitated in petroleum	0
Tautomerism of pyridinylbutane‐1,3‐diones: An NMR and DFT study	0
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Mapping of 1H NMR chemical shifts relationship with chemical similarities for the acceleration of metabolic profiling: Application on blood products	0
Challenges and opportunities in elucidating the structures of biofilm exopolysaccharides: A case study of the Pseudomonas aeruginosa exopolysaccharide called Pel	0
Computational studies of [1]benzothieno[2,3‐c]naphtho[1,2‐f]quinoline	0
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‐C	0
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Structural elucidation and nuclear magnetic resonance spectral assignments of five new compounds from Paraconiothyrium brasiliense	0
Studying the interaction of glycans with intact virions and virus‐like particles by ligand‐observed NMR spectroscopy	0
A New qNMR Compliant Savitzky–Golay Apodization Function for Resolution Enhancement	0
27Al NMR diffusometry of Al13 Keggin nanoclusters	0
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Development of a method to determine the SFC in the fat phase of emulsions using TD‐NMR FID‐CPMG deconvolution	0
Structure elucidation of a new bicoumarin derivative from the leaves of Dysoxylum parasiticum (Osbeck) Kosterm.	0
A comparable study of the optical spectra and EPR parameters for 3d1‐ and 3d9‐doped MgNH4PO4·6H2O	0
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An approach to fast 2D nuclear magnetic resonance at low concentration based on p‐H2‐induced polarization and nonuniform sampling	0
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
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Dual nuclear magnetic resonance for probing intrinsic bone structure and a potential gut–bone axis in ovariectomized rats	0
EPR Spectra Hyperfine Structure of Fluorine‐Containing Nitroxide Radicals in Liquid Solutions: Prediction by DFT	0
19F‐detected dual‐optimized inverted 1JCC 1,n‐ADEQUATE	0
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Anomalous 1H NMR chemical shift behavior of substituted benzoic acid esters	0
Al3+ solvation in solutions of aluminum nitrate in a protic ionic liquid: Nuclear magnetic resonance verification of the solvation shell composition	0
Carbon‐13 chemical shift tensor measurements for nitrogen‐dense compounds	0
Micellar and solubilizing properties of rhamnolipids	0
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Erratum: A data‐oriented approach to making new molecules as a student experiment: Artificial intelligence‐enabling FAIR publication of NMR data for organic esters	0
Supporting the assignment of NMR spectra with variable‐temperature experiments	0
13C‐depleted algae as food: Permitting background free in‐vivo nuclear magnetic resonance of Daphnia magna at natural abundance	0
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A career in NMR—An interview with Ad Bax	0
Complete 1H and 13C NMR Assignment of the ent‐Labdane 2α‐Hydroxyeperuic Acid Combining Conventional NMR Methods and HiFSA	0
Increasing the Orthogonality of 4‐Pyridiniophenols: An NMR Study of Their Solvatomagnetism	0
Editorial: A new era for Magnetic Resonance in Chemistry	0
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Structure revision of the aporphine zizyphusine alkaloid from Semen Ziziphi Spinosae	0
Enhancing Forensic Laboratories Through University Collaboration: Obtaining Conclusive Reports and Reference Materials via NMR	0
Speedy Component Resolution Using Spatially Encoded Diffusion NMR Data	0
Looking into the dynamics of molecular crystals of ibuprofen and terephthalic acid using 17O and 2H nuclear magnetic resonance analyses	0
A theoretical study of the electron paramagnetic resonance spectra and local environment in copper(II) complexes with different imidazole and chlorido ligands	0
Differentiation of patients with and without prostate cancer using urine 1H NMR metabolomics	0
Extracting Scalar Couplings From Complex 1H NMR Spectra Using a Simple 2D J‐Resolved Sequence	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
Longitudinal relaxation rate measurements for different signals unveiled by nutation spectroscopy: Application to the characterization of two arrangements experienced by water in a clay network	0
Fluorine spin–spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels	0
J‐modulated 19F‐ and 1H‐detected dual‐optimized inverted 1JCC 1,n‐ADEQUATE: A universal ADEQUATE experiment	0
Simulation of oriented NMR spectra: Combining molecular dynamics and chemical shift tensor calculations	0
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Corrigendum: Supercritical CO2 impregnation process applied to polymer samples preparation for dynamic nuclear polarization solid‐state NMR	0
KONSTANTIN L'VOVICH IVANOV	0
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Automated nuclear magnetic resonance fingerprinting of mixtures	0
Optimisation of spatially‐encoded diffusion‐ordered NMR spectroscopy for the analysis of mixtures	0
Identifying molecular functional groups of organic compounds by deep learning of NMR data	0
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On phosphorus chemical shift anisotropy in metal (IV) phosphates and phosphonates: A 31P NMR experimental study	0
The Solvatomagnetism of ET(33) Betaine and of Its Phenolic Precursor	0
Input layer regularization for magnetic resonance relaxometry biexponential parameter estimation	0
SMART‐Miner: A convolutional neural network‐based metabolite identification from 1H‐13C HSQC spectra	0
A novel approach to study catalytic reactions via electrophoretic NMR on the example of Pd/NHC‐catalyzed Mizoroki–Heck cross‐coupling reaction	0
Penindolacid A, a new indole alkaloid from the marine‐derived fungus Penicillium sp.	0
Hyperpolarization of common antifungal agents with SABRE	0
Evaluation of NMR predictors for accuracy and ability to reveal trends in 1H NMR spectra of fatty acids	0