A quantum chemical molecular dynamics repository of solvated ions

Measurement(s) solvation structure Technology Type(s) quantum chemistry computational method • Molecular Dynamics

Bibliographic Details
Main Authors: Kasimir P. Gregory, Gareth R. Elliott, Erica J. Wanless, Grant B. Webber, Alister J. Page
Format: Article
Language:English
Published: Nature Portfolio 2022-07-01
Series:Scientific Data
Online Access:https://doi.org/10.1038/s41597-022-01527-8