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Enantiomeric Excess Dependent Splitting of NMR Signal Through Co-Ligand Dynamic Exchange in a Coordination Complex

Kazuyoshi Takimoto, Shinsuke Ishihara, Jan Labuta, Václav Březina, Daniel Payne, Katsuhiko Ariga, Jonathan P. Hill, Masato Sumita, Shigeki Mori, Hisako Sato

Version 1 posted 28 April 2020

444

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Agriculture and Food Chemistry

Working Paper

NMR Metabolomics and Metabolic Pathways Analysis of Cassava Genotypes at Different Harvesting Times and Cooking Characteristics

Elenilson Godoy Alves Filho, Lorena Mara Alexandre Silva, Robson M. Martins, Willyane J.D.J. Oliveira, Cristine Soares Vidal, Luciana Alves de Oliveira, Edy Brito

Version 1 posted 09 November 2020

379

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Theoretical and Computational Chemistry

Working Paper

NMR-TS: De Novo Molecule Identification from NMR Spectra

Jinzhe Zhang, Kei Terayama, Masato Sumita, Kazuki Yoshizoe, Kengo Ito, Jun Kikuchi, Koji Tsuda

Version 1 posted 03 April 2020

956

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Biological and Medicinal Chemistry

Working Paper

HT-SuMD: Making Molecular Dynamics Simulations Suitable for Fragment-Based Screening. a Comparative Study with NMR

Francesca Ferrari, Maicol Bissaro, Simone Fabbian, Jessica de Almeida Roger, Stefano Mammi, Stefano Moro, Massimo Bellanda, Mattia Sturlese

Version 1 posted 01 July 2020

574

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1

Citations

Organic Chemistry

Working Paper

New Insights into the Reactivity of 2-Halo-Glycals. Synthesis of Novel Iodinated Oand S-Glycosides

Agustín Rojas, Leticia Lafuente, Virginia Vetere, Agustin Ponzinibbio

Version 1 posted 01 July 2020

357

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Analytical Chemistry

Working Paper

Data fusion discovery (DAFdiscovery) pipeline to aid compound annotation and bioactive compound discovery across diverse spectral data

Ricardo Moreira Borges, Fernanda Neves Costa, Fernanda Oliveira Chagas, Andrew Magno Teixeira, Jaewon Yoon, Márcio Barczyszyn Weiss, Camila Manoel Crnkovic, Alan Cesar Pilon, Bruno Carius Garrido, Luz Adriana Betancur, Abel Mateo Forero Tunjano, Leonardo Castellanos, Freddy Ramos, Monica Tallarico Pupo, Stefan Kuhn

Version 2 posted 30 June 2022

343

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Physical Chemistry

Review

Emerging Era of Biomolecular Membrane Simulations: Automated Physically-Justified Force Field Development and Quality-Evaluated Databanks

Hanne S. Antila, Batuhan Kav, Markus S. Miettinen, Hector Martinez-Seara, Pavel Jungwirth, O. H. Samuli Ollila

Version 1 posted 22 March 2022

222

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Physical Chemistry

Working Paper

Following Molecular Mobility During Chemical Reactions: No Evidence for Active Propulsion

Lucy Fillbrook, Jan-Philipp Günther, Günter Majer, Daniel O'Leary, William Price, Hal Van Ryswyk, Peer Fischer, Jonathon Beves

Version 1 posted 03 September 2021

438

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Organic Chemistry

Working Paper

Rare A-Type, New Spiro-Type, and Highly Oligomeric Proanthocyanidins from Pinus massoniana

Bin Zhou, Yvette Alania, Mariana C. Reis, James McAlpine, Ana K. Bedran-Russo, Guido Pauli, Shao-Nong Chen

Version 1 posted 24 April 2020

479

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Physical Chemistry

Working Paper

Comment on “Boosted Molecular Mobility During Common Chemical Reactions"

Jan-Philipp Günther, Lucy Fillbrook, Thomas MacDonald, Günter Majer, William S. Price, Peer Fischer, Jonathon Beves

Version 1 posted 05 October 2020

561

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174 results in nmr in Keywords: nmr

Enantiomeric Excess Dependent Splitting of NMR Signal Through Co-Ligand Dynamic Exchange in a Coordination Complex

NMR Metabolomics and Metabolic Pathways Analysis of Cassava Genotypes at Different Harvesting Times and Cooking Characteristics

NMR-TS: De Novo Molecule Identification from NMR Spectra

HT-SuMD: Making Molecular Dynamics Simulations Suitable for Fragment-Based Screening. a Comparative Study with NMR

New Insights into the Reactivity of 2-Halo-Glycals. Synthesis of Novel Iodinated Oand S-Glycosides

Data fusion discovery (DAFdiscovery) pipeline to aid compound annotation and bioactive compound discovery across diverse spectral data

Emerging Era of Biomolecular Membrane Simulations: Automated Physically-Justified Force Field Development and Quality-Evaluated Databanks

Following Molecular Mobility During Chemical Reactions: No Evidence for Active Propulsion

Rare A-Type, New Spiro-Type, and Highly Oligomeric Proanthocyanidins from Pinus massoniana

Comment on “Boosted Molecular Mobility During Common Chemical Reactions"

174 results in Keywords: nmr