大类:Chemistry
小类:Physical and Theoretical Chemistry
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期刊高被引文献
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