Work

Mutually polarizable QM/MM model with in situ optimized localized basis functions

Year: 2019

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/1.5080384

Authors: Jacek Dziedzic, Teresa Head-Gordon, Martin Head-Gordon, Chris-Kriton Skylaris

Institutions: Gdańsk University of Technology, University of Southampton, University of California, Berkeley

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: National Science Foundation, Engineering and Physical Sciences Research Council

Awards: Support for the UKCP consortium, Support for the UKCP consortium, A platform for future development and application of the ONETEP software, From Theory of Energy Decomposition Analysis to Rational Force Field Design, G5075066540, G588865801, G6427392566, G6931140448, Tier 2 Hub in Materials and Molecular Modelling, G8156625137, SI2-CHE: Development and Deployment of Chemical Software for Advanced Potential Energy Surfaces

OpenAlex ID: W2916847298

FWCI: 1.865

Cites: 98

Cited by: 27

Related to: 10