Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. It features detailed reviews written by leading international researchers. This series provides a one-stop resource for following progress in this interdisciplinary area.
Theoretical Elucidation of Geometrical Structures of the CaMn4O5 Cluster in Oxygen Evolving Complex of Photosystem II Scope and Applicability of Estimation Formulae of Structural Deformations via the Mixed-Valence and Jahn–Teller Effects
来源期刊:Advances in Quantum ChemistryDOI:10.1016/BS.AIQ.2018.05.003
Determination of electronic couplings in the singlet fission process using a nonorthogonal configuration interaction approach
来源期刊:Advances in Quantum ChemistryDOI:10.1016/BS.AIQ.2019.05.004
Electronic and crystal structure of the Pt(111)-(2 × 2)-K and Cu(111)-(2 × 2)-K systems
来源期刊:Advances in Quantum ChemistryDOI:10.1016/bs.aiq.2019.07.002
Hypergeometric orthogonal polynomials as expansion basis sets for atomic and molecular orbitals: The Jacobi ladder
来源期刊:Advances in Quantum ChemistryDOI:10.1016/BS.AIQ.2019.05.002