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Persistent URL http://purl.org/net/epubs/work/47572599
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Record Id 47572599
Title Reactive molecular dynamics at constant pressure via nonreactive force fields: extending the Empirical Valence Bond method to the isothermal-isobaric ensemble
Contributors
Abstract
Organisation STFC , SCI-COMP , SCI-COMP-CC
Keywords
Funding Information EPSRC (EP/P022308/1)
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Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article J Phys Chem A 124, no. 37 (2020): 7585-7597. doi:10.1021/acs.jpca.0c05461 2020