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Chemical Education

Working Paper

1H NMR Spectrum: A Team-Based Tabletop Game for Molecular Structure Elucidation

Zachary Thammavongsy, Michael A. Morris, Renee Link

Version 2 posted 02 November 2020

1,132

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Polymer Science

Working Paper

Unravelling a novel mechanism in polymer self-assemblies: An order-order transition based on molecular interactions between hydrophilic and hydrophobic polymer blocks

Lukas Hahn, Theresa Zorn, Josef Kehrein, Tobias Kielholz, Anna-Lena Ziegler, Stefan Forster, Benedikt Sochor, Ekaterina S. Lisitsyna, Nikita Durandin, Timo Laaksonen, Vladimir Aseyev, Christoph Sotriffer, Maike Windbergs, Ann-Christin Pöppler, Robert Luxenhofer

Version 2 posted 31 August 2021

858

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1

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Theoretical and Computational Chemistry

Working Paper

How do NMR coupling constants correlate with σ-donation in NHCs and their derivatives?

Radhika Gupta, Gilles Frison

Version 2 posted 04 September 2024

172

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Theoretical and Computational Chemistry

Working Paper

Simulation Reveals the Environment-dependent Conformational Switching of Macrocycles

Daniel Sethio, Vasanthanathan Poongavanam, Ruisheng Xiong, Mohit Tyagi, Duc Duy Vo, Roland Lindh, Jan Kihlberg

Version 1 posted 14 June 2022

446

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Theoretical and Computational Chemistry

Working Paper

Towards autonomous analysis of Chemical Exchange Saturation Transfer experiments using Deep Neural Networks

Gogulan Karunanithy, Tairan Yuwen, Lewis E Kay, D Flemming Hansen

Version 1 posted 15 December 2021

375

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1

Citations

Analytical Chemistry

Working Paper

Microfluidic quantum sensing platform for lab-on-a-chip applications

Robin Derek Allert, Fleming Bruckmaier, Nick Ruben Neuling, Fabian Alexander Freire-Moschovitis, Kristina Song Liu, Claudia Schrepel, Philip Schätzle, Peter Knittel, Martin Hermans, Dominik Benjamin Bucher

Version 2 posted 02 November 2022

608

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Analytical Chemistry

Working Paper

Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models

Marvin Alberts, Federico Zipoli, Alain C. Vaucher

Version 1 posted 14 August 2023

2,082

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1

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Physical Chemistry

Working Paper

Weak nuclear spin singlet relaxation mechanisms revealed by experiment and computation

Alexej Jerschow, Boris Kharkov, Xueyou Duan, Jyrki Rantaharju, Mohamed Sabba, Malcolm Levitt, James Canary

Version 1 posted 17 November 2021

313

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Materials Chemistry

Working Paper

Elucidating the germanium distribution in ITQ-13 zeolites by density functional theory

Michael Fischer, Carlos Bornes, Luís Mafra, João Rocha

Version 2 posted 18 January 2022

249

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Biological and Medicinal Chemistry

Working Paper

NMR and SPR Fragment-Based Screening Can Produce Novel High Affinity Small Molecule Hits Against Structured RNAs

Brooke Kwai, Indu Chandrashekaran, Biswaranjan Mohanty, Menachem Gunzburg, Bradley Doak, Ashish Sethi, Shubhadra Pillay, David Lok, Sean Harrison, Pedro Serrano, Elisa Barile, Martin Scanlon

Version 1 posted 16 October 2024

97

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Refine Search

74 results in NMR Spectroscopy in Keywords: NMR Spectroscopy

1H NMR Spectrum: A Team-Based Tabletop Game for Molecular Structure Elucidation

Unravelling a novel mechanism in polymer self-assemblies: An order-order transition based on molecular interactions between hydrophilic and hydrophobic polymer blocks

How do NMR coupling constants correlate with σ-donation in NHCs and their derivatives?

Simulation Reveals the Environment-dependent Conformational Switching of Macrocycles

Towards autonomous analysis of Chemical Exchange Saturation Transfer experiments using Deep Neural Networks

Microfluidic quantum sensing platform for lab-on-a-chip applications

Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models

Weak nuclear spin singlet relaxation mechanisms revealed by experiment and computation

Elucidating the germanium distribution in ITQ-13 zeolites by density functional theory

NMR and SPR Fragment-Based Screening Can Produce Novel High Affinity Small Molecule Hits Against Structured RNAs

74 results in Keywords: NMR Spectroscopy