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Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations (2018)

First Author: Pan X

Attributed to: Atomistic and Systems-level Modeling of Phosphate Catalysis funded by BBSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.3390/molecules23102500

PubMed Identifier: 30274290

Publication URI: http://europepmc.org/abstract/MED/30274290

Type: Journal Article/Review

Parent Publication: Molecules

Issue: 10

ISSN: 1420-3049