Structure of aqueous NaOH solutions: insights from neural-network-based molecular dynamics simulations-Reference-Cited by-同舟云学术

Structure of aqueous NaOH solutions: insights from neural-network-based molecular dynamics simulations

Author:

Hellström Matti¹²³⁴,Behler Jörg¹²³⁴

Affiliation:

1. Lehrstuhl für Theoretische Chemie

2. Ruhr-Universität Bochum

3. 44780 Bochum

4. Germany

Abstract

A reactive neural network potential is used to identify coordination polyhedra and interpolyhedron connectivity patterns of NaOH solutions.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference57 articles.

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5. F. W. Küster and A.Thiel, Rechentafeln für die Chemische Analytik, Walter de Gruyter, Berlin, 105th edn, 2003

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