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Chemistry

Working Paper

Experimentally derived charge density of halogen bonds to heavy pnictogens: revealing electronic structure and validating DFT approaches

Lavanya Kumar, Sibananda G. Dash, Maura Malinska, Dominik Cinčić, Mihails Arhangelskis

Version 2 posted 03 November 2025

263

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Chemistry

Working Paper

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

484

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Chemistry

Working Paper

Maxwell’s Equations versus Newton’s Third Law

Glyn Kennell, Richard Evitts

Version 1 posted 22 May 2018

908

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Chemistry

Working Paper

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

563

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Chemistry

Working Paper

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

555

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Chemistry

Working Paper

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

338

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1

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Physics and Astronomy

Working Paper

Diffusion Model Spread of Electric Charge in the Resistive Micromegas Detectors: Implementation to the New Small Wheel Upgrade of the ATLAS Experiment

Stavros Maltezos, Theodoros Alexopoulos, Manolis Dris, George Iakovidis

Version 2 posted 27 February 2024

128

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Chemistry

Working Paper

Predicting the electron density of charged systems using machine learning

Sherif Tawfik, Sunil Gupta, Svetha Venkatesh

Version 1 posted 24 December 2024

273

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Chemistry

Working Paper

A density based machine learning force field for molecule-molecule nonbonded interactions

Lin-Wang Wang

Version 1 posted 05 August 2025

258

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9 results in Charge density in Keywords: Charge density

Experimentally derived charge density of halogen bonds to heavy pnictogens: revealing electronic structure and validating DFT approaches

On the Activation of PhICl2 with Pyridine

Maxwell’s Equations versus Newton’s Third Law

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

Chemical Bonding Origin of Glass Formation in Metal-Organic Frameworks

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

Diffusion Model Spread of Electric Charge in the Resistive Micromegas Detectors: Implementation to the New Small Wheel Upgrade of the ATLAS Experiment

Predicting the electron density of charged systems using machine learning

A density based machine learning force field for molecule-molecule nonbonded interactions

9 results in Keywords: Charge density