📣 Help Shape the Future of UKRI's Gateway to Research (GtR)

We're improving UKRI's Gateway to Research and are seeking your input! If you would be interested in being interviewed about the improvements we're making and to have your say about how we can make GtR more user-friendly, impactful, and effective for the Research and Innovation community, please email gateway@ukri.org.

Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution. (2019)

First Author: Ranaghan KE

Attributed to: Reactive Scattering Dynamics at the Gas-Liquid Interface: Bridging the Gap between the Gas-Phase and Solution funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.8b00940

PubMed Identifier: 30794388

Publication URI: http://europepmc.org/abstract/MED/30794388

Type: Journal Article/Review

Volume: 59

Parent Publication: Journal of chemical information and modeling

Issue: 5

ISSN: 1549-9596