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Materials Chemistry

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AIM

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4 results in Keywords: AIM

Theoretical and Computational Chemistry

Calculation of Higher Protonation States and of a New Resting State for Vanadium Chloroperoxidase Using QM/MM, with an Atom-in-Molecules Analysis

Gregory Anderson, Raghu Nath Behera, Ravi V. Gomatam

Version 2 posted 07 January 2020

977

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Physical Chemistry

Theoretical Description of the Physical/chemical Contributions Determining the Stability of Transition-Metal Doped Phosphorene Nanosheets

Sasha Gazzari, Kerry Wrighton-Araneda, Diego Cortes-Arriagada

Version 1 posted 23 July 2020

254

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Materials Science

Phosphorene–Fullerene Nanostructures: A First-Principles Study

Diego Cortes-Arriagada, Daniela E. Ortega

Version 2 posted 28 April 2021

490

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Theoretical and Computational Chemistry

mwfn: A Strict, Concise and Extensible Format for Electronic Wavefunction Storage and Exchange

Tian Lu, Qinxue Chen

Version 6 posted 18 July 2022

3,084

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3

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