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Theoretical and Computational Chemistry

Working Paper

Tautomer Database: A Comprehensive Resource for Tautomerism Analyses

Devendra K. Dhaked, Laura Guasch, Marc Nicklaus

Version 1 posted 29 November 2019

502

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Physical Chemistry

Working Paper

Favipiravir Tautomerism: A Short Theoretical Report

Liudmil Antonov

Version 1 posted 14 April 2020

703

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2

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Biological and Medicinal Chemistry

Working Paper

Tautomeric Equilibrium Revisited: proton-tautomerism in solvent and the fundamentals of molecular stability prediction.

Andre Ricardo Carvalho

Version 3 posted 02 October 2019

1,314

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2

Devendra K. Dhaked, Wolf Ihlenfeldt, Hitesh Patel, Marc Nicklaus

Version 1 posted 29 November 2019

995

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Organic Chemistry

Working Paper

A New Low-Barrier Hydrogen Bond System: Free-Base Corrole Anion

Arup Tarai, Jyoti Prakash Mallick, Pranjali Singh, Jeanet Conradie, Sanjib Kar, Abhik Ghosh

Version 1 posted 19 May 2023

152

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Inorganic Chemistry

Working Paper

Synthesis of an Arenide-Masked Scandium Complex Accom-panied by Reductively Induced C-H Activation

Alejandra Gomez-Torres, Alejandro Metta-Magana, Skye Fortier

Version 1 posted 16 August 2022

247

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Organic Chemistry

Working Paper

The neglected tautomerism in “Study of the electronic effect and quantitative spectra predictions of o-methoxyanilineterminated monoazonaphthols: a combined experimental and DFT study” by Guoxun Zhu, Yan Lin, Wenxian Zhou, Huacan Song and Zhengquan Li, RSC Advances, 2023, 13, 33736

Liudmil Antonov

Version 2 posted 02 February 2024

127

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Organic Chemistry

Working Paper

Reversible Shifting of a Chemical Equilibrium by Light: The Case of Keto-Enol Tautomerism of a β-Ketoester

Andrey Lvov, Anton Yadykov, Konstantin Lyssenko, Valerii Shirinian, Marat M. Khusniyarov

Version 1 posted 29 November 2019

612

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1

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Physical Chemistry

Working Paper

Auto3D: Automatic Generation of the Low-energy 3D Structures with ANI Neural Network Potentials

Zhen Liu, Tetiana Zubatiuk, Adrian Roitberg, Olexandr Isayev

Version 2 posted 12 September 2022

1,970

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9 results in tautomerism in Keywords: tautomerism

Tautomer Database: A Comprehensive Resource for Tautomerism Analyses

Favipiravir Tautomerism: A Short Theoretical Report

Tautomeric Equilibrium Revisited: proton-tautomerism in solvent and the fundamentals of molecular stability prediction.

Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2

A New Low-Barrier Hydrogen Bond System: Free-Base Corrole Anion

Synthesis of an Arenide-Masked Scandium Complex Accom-panied by Reductively Induced C-H Activation

The neglected tautomerism in “Study of the electronic effect and quantitative spectra predictions of o-methoxyanilineterminated monoazonaphthols: a combined experimental and DFT study” by Guoxun Zhu, Yan Lin, Wenxian Zhou, Huacan Song and Zhengquan Li, RSC Advances, 2023, 13, 33736

Reversible Shifting of a Chemical Equilibrium by Light: The Case of Keto-Enol Tautomerism of a β-Ketoester

Auto3D: Automatic Generation of the Low-energy 3D Structures with ANI Neural Network Potentials

9 results in Keywords: tautomerism