Work

Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies

Year: 2010

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/ct100212p

Authors: Malgorzata Biczysko, Pawel Panek, Giovanni Scalmani, Julien Bloino, Vincenzo Barone

Institutions: Scuola Normale Superiore, Istituto Nazionale di Fisica Nucleare, University of Wrocław, Gaussian, Inc. (United States), University of Bologna

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: W2021324135

FWCI: 8.184

Cites: 87

Cited by: 334

Related to: 9