Anharmonic vibrational properties by a fully automated second-order perturbative approach.

By Vincenzo Barone. Journal of Chemical Physics, 2005

1,425 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Statistics and Probability

View Paper: https://www.semanticscholar.org/paper/03294a163a8eb83796767b50247a27cd06855094