Work

Hybrid Ab-Initio/Empirical Molecular Dynamics: Combining the ONIOM Scheme with the Atom-Centered Density Matrix Propagation (ADMP) Approach

Year: 2004

Type: article

Source: The Journal of Physical Chemistry B

DOI: 10.1021/jp0370829

Authors: Nadia Rega, Srinivasan S. Iyengar, Gregory A. Voth, H. Bernhard Schlegel, Thom Vreven, Michael J. Frisch

Institutions: Wayne State University, University of Utah, Gaussian, Inc. (United States)

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: W1996914499

FWCI: 7.778

Cites: 61

Cited by: 145

Related to: 10