A simple and efficient dispersion correction to the Hartree–Fock theory (2): Incorporation of a geometrical correction for the basis set superposition error

Autor: Yoshida, Tatsusada, Hayashi, Takahisa, Mashima, Akira, Chuman, Hiroshi
Zdroj: In Bioorganic & Medicinal Chemistry Letters 1 October 2015 25(19):4179-4184
Databáze: ScienceDirect