Work

Modeling Molecular Crystals by QM/MM: Self-Consistent Electrostatic Embedding for Geometry Optimizations and Molecular Property Calculations in the Solid

Year: 2011

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/ct200824r

Authors: Ragnar Bjornsson, Michael Bühl

Institution: University of St Andrews

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

OpenAlex ID: W2329358341

FWCI: 2.251

Cites: 116

Cited by: 45

Related to: 10