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6 results in Keywords: charge density

Theoretical and Computational Chemistry

Predicting the electron density of charged systems using machine learning

Sherif Tawfik, Sunil Gupta, Svetha Venkatesh

Version 1 posted 24 December 2024

0

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Physical Chemistry

Maxwell’s Equations versus Newton’s Third Law

Glyn Kennell, Richard Evitts

Version 1 posted 22 May 2018

794

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Physical Chemistry

Protonated nucleobases are not fully ionized and may form stable base pairs in the crystalline state

Prashant Kumar, Małgorzata Katarzyna Cabaj, Aleksandra Pazio, Paulina Maria Dominiak

Version 1 posted 12 December 2017

497

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Inorganic Chemistry

On the Activation of PhICl2 with Pyridine

Tiffany Poynder, Analia Orue, Tania _, Lachlan Sharp-Bucknall, Matthew Flynn, David J. D. Wilson, Kasun Athukoroala, Jack K. Clegg, Jason Dutton

Version 1 posted 19 March 2021

370

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Physical Chemistry

New refinement strategies for pseudoatom databank - towards wider range of application

Sławomir Antonii Bojarowski, Barbara Gruza, Damian Trzybiński, Radosław Kamiński, Anna Agnieszka Hoser, Prashant Kumar, Krzysztof Woźniak, Paulina Maria Dominiak

Version 1 posted 28 January 2022

166

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Materials Chemistry

Chemical Bonding Origin of Glass Formation in Metal-Organic Frameworks

Sounak Sarkar, Thomas Bjørn Egede Grønbech, Aref Mamakhel, Martin Bondesgaard, Kunihisa Sugimoto, Eiji Nishibori, Bo Brummerstedt Iversen

Version 1 posted 01 February 2022

331

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