Gas-Phase Thermochemistry of MX

Autor: Irina, Minenkova, Evgeniya L, Osina, Luigi, Cavallo, Yury, Minenkov
Rok vydání: 2020
Zdroj: Inorganic chemistry. 59(23)
ISSN: 1520-510X
Popis: A domain-based local-pair natural-orbital coupled-cluster approach with single, double, and improved linear-scaling perturbative triple correction via an iterative algorithm, DLPNO-CCSD(
Databáze: OpenAIRE