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:  Novel Enhanced Sampling Methods in Multiscale Modeling funded by EPSRC

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

Volume: 23

Parent Publication: Molecules (Basel, Switzerland)

Issue: 10

ISSN: 1420-3049