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Theoretical and Computational Chemistry

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Ab-Initio Molecular Dynamics Studies

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2 results in Keywords: Ab-Initio Molecular Dynamics Studies

Theoretical and Computational Chemistry

Molecular Growth upon Ionization of Van Der Waals Clusters Containing HCCH and HCN is a Pathway to Prebiotic Molecules

Tamar Stein, Partha P. Bera, Timothy J. Lee, Martin Head-Gordon

Version 1 posted 24 June 2020

514

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Theoretical and Computational Chemistry

Ionization of Water as an Eﬀect of Quantum Delocalization at Aqueous Electrode Interfaces

Jinggang Lan, Vladimir V. Rybkin, Marcella Iannuzzi

Version 1 posted 24 January 2020

681

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