A comparison for donor-acceptor interactions between E(PH3)2 and NHEMe ligands (E = C to Pb) of W(CO)5 complexes using energy decomposition analysis method with natural orbitals for chemical valance theory

Abstract

Description

Keywords

Density functional theory, Bond dissociation energies (BDEs), Energy decomposition analysis (EDA), Natural Orbitals for Chemical Valence (NOCV)

Citation