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

Pham, Van TatHuynh, Thi Phuong LoanLe, Thi HoaDuong, Tuan QuangTran, Duc SyDang, Tan HiepNguyen, Thi Ai Nhung2016https://thuvienso.hoasen.edu.vn/handle/123456789/10961Pp. 501-508enDensity functional theoryBond dissociation energies (BDEs)Energy decomposition analysis (EDA)Natural Orbitals for Chemical Valence (NOCV)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 theoryArticle