Work

Molecular properties from combined QM/MM methods. I. Analytical second derivative and vibrational calculations

Year: 2000

Type: article

Source: The Journal of Chemical Physics

DOI: 10.1063/1.480658

Authors: Qiang Cui, Martin Karplus

Institutions: Harvard University, Institut de Science et d'Ingénierie Supramoléculaires

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 Energy Research Scientific Computing Center, Argonne National Laboratory

OpenAlex ID: W2060188684

FWCI: 7.935

Cites: 103

Cited by: 164

Related to: 10