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The accuracy of ab initio calculations without ab initio calculations for charged systems: Kriging predictions of atomistic properties for ions in aqueous solutions. (2018)

First Author: Di Pasquale N

Attributed to: Reliable computational prediction of molecular assembly funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.5022174

PubMed Identifier: 29960379

Publication URI: http://europepmc.org/abstract/MED/29960379

Type: Journal Article/Review

Volume: 148

Parent Publication: The Journal of chemical physics

Issue: 24

ISSN: 0021-9606