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Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment. (2019)

First Author: Lu Y

Attributed to: Scalable Quantum Chemistry with Flexible Embedding Stage 2 funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.8b01036

PubMed Identifier: 30511845

Publication URI: http://europepmc.org/abstract/MED/30511845

Type: Journal Article/Review

Volume: 15

Parent Publication: Journal of chemical theory and computation

Issue: 2

ISSN: 1549-9618