Recent NMR papers from ACS, RSC, Wiley, Nature, Elsevier, Chemrxiv, Arxiv...
this list is updated daily from the rss feeds of the editors
- the selection is made on NMR related key words... that could be enhanced ;-)
implemented from PaperBots by
FX Coudert - many thanks
updated 2025-01-22 06:00:08
Electronic structure of ${\mathrm{CrO}}_{2}$ probed by NMR and DFT
Vojtěch Chlan, Anna A. Shmyreva, and Helena Štěpánková
PhysRevB.111.024415 link... found in
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2025-01-21 10:00:00
Origin of low-field microwave absorption in metallic magnetic films evidenced in FeRh/Ta/GaAs
D. Nguyen Ba, G. Olivetti, T. Tremblais, I. Boventer, F. Vidal, J.-E. Duvauchelle, C. Gourdon, and L. Thevenard
PhysRevB.111.014426 link... found in
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2025-01-21 10:00:00
Electronic structure of ${\mathrm{CrO}}_{2}$ probed by NMR and DFT
Vojtěch Chlan, Anna A. Shmyreva, and Helena Štěpánková
PhysRevB.111.024415 link... found in
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2025-01-21 10:00:00
Origin of low-field microwave absorption in metallic magnetic films evidenced in FeRh/Ta/GaAs
D. Nguyen Ba, G. Olivetti, T. Tremblais, I. Boventer, F. Vidal, J.-E. Duvauchelle, C. Gourdon, and L. Thevenard
PhysRevB.111.014426 link... found in
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2025-01-21 10:00:00
Heteroleptic “open ruthenocene” for deposition of Ru films from the gas phase
Roman Kultyshev,Ian Harkness,Daniel Berry,Hoi Jobson,Huw Marchbank,Tugce Eralp Erden,Laura Ashfield
Dalton Transaction link... found in
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2025-01-21 00:00:00
Mn(II)-MOF Nanoparticle Conjugated with EOB-PEG as High-Performance Hepatobiliary-Specific MRI Contrast Agent
Gengshen Mo,Xingjiang Li,Yong Jian,Weiyuan Xu,Xinhui Xiao,Aiyi Chen,Yinghui Ding,Xin Jiang,Jianliang Shen,Lihai Fan,Zhiqiang Wang,Lixiong Dai
None link... found in
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2025-01-20 00:00:00
Large temperature-dependent spin pumping in topological insulator–ferromagnet bilayers probed by ferromagnetic resonance spectroscopy
Suchetana Mukhopadhyay, Pratap Kumar Pal, Subhadip Manna, Chiranjib Mitra, and Anjan Barman
PhysRevApplied.23.014038 link... found in
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2025-01-17 10:00:00
Characterization of Lipid Chain Order and Dynamics in Asymmetric Membranes by Solid-State NMR Spectroscopy
Oskar Engberg,Viola Döbel,Kathrin Engel,Daniel Huster
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2025-01-17 00:00:00
Correlation Between NMR Coupling Constants and σ‐Donating Properties of N‐Heterocyclic Carbenes and Their Derivatives
Radhika Gupta,
Gilles Frison
link... found in
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2025-01-16 23:53:52
Magnetic chromatography improves colloidal and MRI attributes of magnetoliposomes enabling evaluation of the impact of size on bio-distribution in an in vivo model of pancreatic cancer
Cara Moloney,Tista Roy Chaudhuri,Robert M. Straubinger,Dermot F. Brougham
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2025-01-08 00:00:00
Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings
Laura Holzhauer,Vitalii Shekhovtsev,Cecilia Bruschi,Mathis Gunther,Olaf Fuhr,Patrick Hodapp,Claudia Bizzarri,Wolfgang Wenzel,Nicole Jung,Stefan Bräse
Dalton Transaction link... found in
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2025-01-08 00:00:00
The speciation of phosphates adsorbed on γ-alumina revealed by 31P NMR, AIMD and machine learning
Adrian Hühn,Tao Jiang,Manuel Corral Valero,Mickaël Rivallan,Anne Lesage,Carine Michel,Pascal Raybaud
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2025-01-07 00:00:00
Correlative Electron Paramagnetic Resonance Imaging and Atomic Force Microscopy of Lithium Deposited on Copper
Beatrice Wolff,
Christian Hellenbrandt,
Peter Jakes,
Rüdiger-A. Eichel,
Josef Granwehr,
Florian Hausen
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2025-01-06 00:00:00
Effect of protonation induced distortions on the spectral properties and electronic structure of Octaphenylporphyrins: UV‐vis, electrochemical, VT‐NMR and ab initio studies
Nivedita Rana,
Soni Kumari,
Muniappan Sankar
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2024-12-23 10:01:03
Publisher Correction: Parahydrogen-enhanced magnetic resonance identification of intermediates in [Fe]-hydrogenase catalysis
Lukas Kaltschnee,Andrey N. Pravdivtsev,Manuel Gehl,Gangfeng Huang,Georgi L. Stoychev,Christoph Riplinger,Maximilian Keitel,Frank Neese,Jan-Bernd Hövener,Alexander A. Auer,Christian Griesinger,Seigo Shima,Stefan Glöggler
Nature Catalysis link... found in
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2024-12-23 00:00:00
17O NMR Spectroscopy Reveals CO2 Speciation and Dynamics in Hydroxide‐Based Carbon Capture Materials
Benjamin J. Rhodes,
Lars L. Schaaf,
Mary E. Zick,
Suzi M. Pugh,
Jordon S. Hilliard,
Shivani Sharma,
Casey R. Wade,
Phillip J. Milner,
Gábor Csányi,
Alexander C. Forse
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2024-12-16 00:00:00
Combining X-ray and NMR crystallography to explore the structural disorder in racemic propranolol hydrochloride
Łukasz Szeleszczuk,Kostas Bethanis,Elias Christoforides,Dariusz Maciej Pisklak
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2024-12-16 00:00:00
Hierarchically porous composites containing mining tailings-based geopolymer and zeolite 13X: application for carbon dioxide sequestration
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2024-12-14 00:00:00
1-Ethyl-3-methylimidazolium dinitramide (EMImDN): a comprehensive study of synthesis, characterization, thermal behavior and hypergolicity
Bismi Basheer,Deepthi Thomas,Santhosh G.,Cherumuttathu H. Suresh,Vijayalakshmi K. P.,Benny K. George
NJ link... found in
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2024-12-14 00:00:00
Evaluation of hydrogen storage in sandstone reservoirs using 1H nuclear magnetic resonance spectroscopy
Son T. Dang,Sidi Mamoudou,Chandra S. Rai,Tuan A. Ho
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2024-12-12 00:00:00
Big data and simulations in NMR crystallography: general discussion
Sharon E. Ashbrook,Gregory J. O. Beran,Jan Blahut,Frédéric Blanc,Carlos Bornes,Lee Brammer,Steven P. Brown,Thibault Charpentier,Martin Dračínský,Marta K. Dudek,Lyndon Emsley,Carl H. Fleischer,Andrew L. Goodwin,Angela F. Harper,Kenneth D. M. Harris,Paul Hodgkinson,Michael A. Hope,Colan E. Hughes,Simone S. Köcher,Zhiyuan Li,Andrew J. Morris,Leonard J. Mueller,Sten O. Nilsson Lill,Sarah L. Price,Benjamin J. Rhodes,Daria Torodii
None link... found in
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2024-12-06 00:00:00
Generating models that describe complex disorder: general discussion
Sharon E. Ashbrook,Frédéric Blanc,Steven P. Brown,Thibault Charpentier,Martin Dracinsky,Marta K. Dudek,Lyndon Emsley,Christel Gervais,Andrew L. Goodwin,Gillian R. Goward,John Griffin,Angela F. Harper,Kenneth D. M. Harris,Paul Hodgkinson,Jacob B. Holmes,Michael A. Hope,Colan E. Hughes,Simone S. Köcher,Zhiyuan Li,Sten O. Nilsson Lill,Céline Merlet,Andrew J. Morris,Leonard J. Mueller,Sarah L. Price,Benjamin J. Rhodes,Heitor S. Seleghini
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2024-12-05 00:00:00
Challenges and opportunities for NMR calculations: general discussion
Sharon E. Ashbrook,Gregory J. O. Beran,Jan Blahut,Frédéric Blanc,Lee Brammer,Harry Brough,Steven P. Brown,Carlos Bornes,Thibault Charpentier,Martin Dracinsky,Marta K. Dudek,Lyndon Emsley,Thomas Fellowes,Christel Gervais,Kent J. Griffith,John Griffin,Gillian R. Goward,Paul Hodgkinson,Colan E. Hughes,Michael A. Hope,Simone S. Köcher,Danielle Laurencin,Zhiyuan Li,Sten O. Nilsson Lill,Andrew J. Morris,Leonard J. Mueller,Sarah L. Price,Jonathan R. Yates
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2024-12-04 00:00:00
R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides
Victor P. Zelenov,Ivan V. Fedyanin,Aida I. Samigullina,Alexandr A. Larin,Aleksei B. Sheremetev
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2024-12-04 00:00:00
Modelling Lithium‐Ion Transport Properties in Sulfoxides and Sulfones with Polarizable Molecular Dynamics and NMR Spectroscopy
Vanessa Piacentini,
Cataldo Simari,
Emanuela Mangiacapre,
Isabella Nicotera,
Sergio Brutti,
Adriano Pierini,
Enrico Bodo
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2024-11-29 00:29:08
Structural correlation and chemistry of molten NaF–ScF3 with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations
Aydar Rakhmatullin, František Šimko, Didier Zanghi, Zuzana Netriová, Ilya B.Polovov, Ayrat Dimiev, Konstantin V.Maksimtsev, Catherine Bessada, Michal Korenko
Structural correlation and chemistry of molten NaF–ScF3 with dissolved metal aluminium: TG/DTA, XRD, NMR and molecular dynamics simulations
Rare Metals 43 3356–3369 2024doi:10.1007/s12598-024-02690-0
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2024-11-25 13:08:40
Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced 195Pt solid state NMR spectroscopy and DFT calculations
Benjamin A. Atterberry,Erik J. Wimmer,Sina Klostermann,Wolfgang Frey,Johannes Kästner,Deven P. Estes,Aaron J. Rossini
Chemical Science link... found in
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2024-11-20 00:00:00
Characterizing Y224 conformational flexibility in FtmOx1-catalysis using 19F NMR spectroscopy
Xinye Wang,Lingyun Yang,Shenlin Wang,Jun Wang,Kelin Li,Nathchar Naowarojna,Yi Ju,Ke Ye,Yuchen Han,Wupeng Yan,Xueting Liu,Lixin Zhang,Pinghua Liu
None link... found in
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2024-11-20 00:00:00
Electrochemical and Chemical Reactivities of Titanium Oxide-Based Materials with a Chloroaluminate Ionic Liquid Electrolyte for Aluminum Batteries
Maxime Sorriaux, Seongkoo Kang, Kyle G.Reeves, Ana Gabriela Porras Gutierrez, Sandrine Leclerc, Vincent Sarou-Kanian, Franck Fayon, Christophe Legein, Monique Body, Gwenaël Gouadec, Olaf J.Borkiewicz, Damien Dambournet
Electrochemical and Chemical Reactivities of Titanium Oxide-Based Materials with a Chloroaluminate Ionic Liquid Electrolyte for Aluminum Batteries
ACS Applied Energy Materials 7 9852-9862 2024doi:10.1021/acsaem.4c01840
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2024-11-14 00:08:43
Cluster-based redox-responsive super-atomic MRI contrast agents
Alexandros A. Kitos, Raúl Castañeda, Zachary J. Comeau, Niki Mavragani, Nicholas D. Calvert, Alexia Kirby, Francisco M. Martinez-Santiesteban, Peter J. Pallister, Timothy J. Scholl, Muralee Murugesu, Adam J. Shuhendler, Jaclyn L. Brusso
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2024-10-21 00:00:00
2D covalent organic framework via catenation
Thirumurugan Prakasam, Sudhir Kumar Sharma, Florent Ravaux, Farah Benyettou, Matteo Lusi, Varghese Sabu, Philippe Bazin, Thomas Delclos, Ramesh Jagannathan, Jamie Whelan, Mohamad El-Roz, Mark A. Olson, Mahmoud Abdellatief, Obieda S. Mudraj, Felipe Gándara, Ali Trabolsi
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2024-10-07 00:00:00
Concluding remarks: Faraday Discussion on NMR crystallography
Sharon E. Ashbrook
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2024-10-01 00:00:00
Structure and properties of gallate and germanate langasite infrared optical glass materials
Florian Calzavara, Pierre Florian, Franck Fayon, Sonia Buffière, Marc Dussauze, Véronique Jubera, Thierry Cardinal, Evelyne Fargin
Structure and properties of gallate and germanate langasite infrared optical glass materials
Journal of Non Crystalline Solids 646 123204 2024doi:10.1016/j.jnoncrysol.2024.123204
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2024-09-15 23:48:21
Spiers Memorial Lecture: NMR crystallography
Lyndon Emsley
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2024-09-06 00:00:00
Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange–correlation functionals
Jonathan R. Yates,Albert P. Bartók
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2024-07-25 00:00:00
Uniform chi-squared model probabilities in NMR crystallography
Leonard J. Mueller
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2024-07-23 00:00:00
Atomic-level structure of the amorphous drug atuliflapon via NMR crystallography
Jacob B. Holmes,Daria Torodii,Martins Balodis,Manuel Cordova,Albert Hofstetter,Federico Paruzzo,Sten O. Nilsson Lill,Emma Eriksson,Pierrick Berruyer,Bruno Simões de Almeida,Mike Quayle,Stefan Norberg,Anna Svensk Ankarberg,Staffan Schantz,Lyndon Emsley
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2024-07-17 00:00:00
Crystal structure validation of verinurad via proton-detected ultra-fast MAS NMR and machine learning
Daria Torodii,Jacob B. Holmes,Pinelopi Moutzouri,Sten O. Nilsson Lill,Manuel Cordova,Arthur C. Pinon,Kristof Grohe,Sebastian Wegner,Okky Dwichandra Putra,Stefan Norberg,Anette Welinder,Staffan Schantz,Lyndon Emsley
None link... found in
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2024-07-17 00:00:00
Exploring the crystallisation of aspirin in a confined porous material using solid-state nuclear magnetic resonance
Marie Juramy,Eric Besson,Stéphane Gastaldi,Fabio Ziarelli,Stéphane Viel,Giulia Mollica,Pierre Thureau
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2024-07-16 00:00:00
High-throughput calculations and machine learning modeling of 17O NMR in non-magnetic oxides
Zhiyuan Li,Bo Zhao,Hongbin Zhang,Yixuan Zhang
None link... found in
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2024-07-01 00:00:00
NMR crystallization: in situ NMR strategies for monitoring the evolution of crystallization processes
Colan E. Hughes,Naomi V. Ratnasingam,P. Andrew Williams,Erwan Benhenou,Rhian Patterson,Kenneth D. M. Harris
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2024-06-28 00:00:00
First-principles NMR of oxide glasses boosted by machine learning
Thibault Charpentier
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2024-06-26 00:00:00
Characterization of ephedrine HCl and pseudoephedrine HCl using quadrupolar NMR crystallography guided crystal structure prediction
Carl H. Fleischer,Sean T. Holmes,Kirill Levin,Stanislav L. Veinberg,Robert W. Schurko
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2024-06-24 00:00:00
The essential synergy of MD simulation and NMR in understanding amorphous drug forms
Jamie L. Guest,Esther A. E. Bourne,Martin A. Screen,Mark R. Wilson,Tran N. Pham,Paul Hodgkinson
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2024-06-20 00:00:00
Temperature-induced mobility in octacalcium phosphate impacts crystal symmetry: water dynamics studied by NMR crystallography
Adam Nelson,Wassilios Papawassiliou,Subhradip Paul,Sabine Hediger,Ivan Hung,Zhehong Gan,Amrit Venkatesh,W. Trent Trent Franks,Mark E. Smith,David Gajan,Gaël De Paëpe,Christian Bonhomme,Danielle Laurencin,Christel Gervais
None link... found in
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2024-06-19 00:00:00
A machine learning approach for dynamical modelling of Al distributions in zeolites via23Na/27Al solid-state NMR
Chen Lei,Carlos Bornes,Oscar Bengtsson,Andreas Erlebach,Ben Slater,Lukas Grajciar,Christopher J. Heard
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2024-06-03 00:00:00
Combined 7Li NMR, density functional theory and operando synchrotron X-ray powder diffraction to investigate a structural evolution of cathode material LiFeV2O7
Taiana L. E. Pereira,Jon Serrano Sevillano,Beatriz D. Moreno,Joel W. Reid,Dany Carlier,Gillian R. Goward
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2024-06-03 00:00:00
Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model
El Hassane Lahrar,Céline Merlet
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2024-05-29 00:00:00
Organic NMR crystallography: enabling progress for applications to pharmaceuticals and plant cell walls
Zainab Rehman,Jairah Lubay,W. Trent Franks,Albert P. Bartók,Emily K. Corlett,Bao Nguyen,Garry Scrivens,Brian M. Samas,Heather Frericks-Schmidt,Steven P. Brown
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2024-05-20 00:00:00
The interplay of density functional selection and crystal structure for accurate NMR chemical shift predictions
Sebastian A. Ramos,Leonard J. Mueller,Gregory J. O. Beran
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2024-05-17 00:00:00
The EFG Rosetta Stone: translating between DFT calculations and solid state NMR experiments
Javier Valenzuela Reina,Federico Civaia,Angela F. Harper,Christoph Scheurer,Simone S. Köcher
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2024-05-13 00:00:00
Tracking Li atoms in real-time with ultra-fast NMR simulations
Angela F. Harper,Tabea Huss,Simone S. Köcher,Christoph Scheurer
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2024-05-03 00:00:00