Work

Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints

Year: 2003

Type: article

Source: Journal of Computational Chemistry

DOI: 10.1002/jcc.10156

Authors: Thom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, Michael J. Frisch

Institutions: Emory University, Gaussian, Inc. (United States), Eötvös Loránd University, Wayne State University

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: W2021480093

FWCI: 13.28

Cites: 55

Cited by: 612

Related to: 9