共 26 条
- [22] Electronic coupling calculation and pathway analysis of electron transfer reaction using ab initio fragment-based method. I. FMO-LCMO approach JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (20):
- [24] A STUDY OF LOCALIZED MOLECULAR-ORBITALS BY THE GROUP-THEORY METHOD AND ITS APPROACH TO THE MANY-ELECTRON CORRELATION-PROBLEM .2. THE POINT GROUP SYMMETRY AND CALCULATION PROGRAM OF SPIN-FREE HAMILTONIAN MATRIX-ELEMENTS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1991, 82 (1-2): : 65 - 74
- [26] Systematic research on insertion materials based on superlattice models in a phase triangle of LiCoO2-LiNiO2-LiMnO2.: I.: First-principles calculation on electronic and crystal structures, phase stability and new LiNi1/2Mn1/2O2 material JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2004, 151 (09) : A1499 - A1506