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
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Date
2016
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Keywords
Density functional theory, Bond dissociation energies (BDEs), Energy decomposition analysis (EDA), Natural Orbitals for Chemical Valence (NOCV)