📣 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.

Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design. (2016)

First Author: Phipps MJ

Attributed to: A platform for future development and application of the ONETEP software funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.6b00272

PubMed Identifier: 27248370

Publication URI: http://europepmc.org/abstract/MED/27248370

Type: Journal Article/Review

Volume: 12

Parent Publication: Journal of chemical theory and computation

Issue: 7

ISSN: 1549-9618