Duyệt theo Chủ đề "Quantum chemical calculations"
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A quantum chemical computation insight into the donor-acceptor bond interaction of silver complexes with tetrylene
(2017)We computationally investigate the nature of chemical bonding from linear to bent structures of N-heterocyclic carbene-analogues of silver complexes (called tetrylene) AgCl-NHEMe (Ag-NHE) with E = C – Pb using quantum ...