Reactive molecular dynamics for the [Cl–CH 3 –Br] − reaction in the gas phase and in solution: a comparative study using empirical and neural network force fields-Reference-Cited by-同舟云学术

Reactive molecular dynamics for the [Cl–CH 3 –Br] − reaction in the gas phase and in solution: a comparative study using empirical and neural network force fields

Published:2019-05-20 Issue:2 Volume:1 Page:024002
ISSN:2516-1075
Container-title:Electronic Structure
language:
Short-container-title:Electron. Struct.

Author:

Brickel Sebastian^ORCID,Das Akshaya K,Unke Oliver T^ORCID,Turan Haydar T,Meuwly Markus

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

IOP Publishing

Link

https://iopscience.iop.org/article/10.1088/2516-1075/ab1edb/pdf

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