共 50 条
- [1] Block-localized wavefunction (BLW) method at the density functional theory (DFT) levelJOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (34): : 8291 - 8301Mo, YirongSong, LingchunLin, Yuchun
- [3] Ab Initio Computational Method for Classical Valence Bond TheoryPROGRESS IN CHEMISTRY, 2012, 24 (06) : 1001 - 1007Su PeifengWu Wei
- [4] An ab initio theory and density functional theory (DFT) study of conformers of tetrahydro-2H-pyranJOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (44): : 10123 - 10132Freeman, FKasner, MLHehre, WJ
- [5] Ab initio and density functional theory (DFT) studies on triflic acid with water and protonated water clustersJournal of Molecular Modeling, 2016, 22M. PrakashV. Subramanian
- [8] Density functional theory (DFT) and ab initio investigations of the electronic and molecular structures of the monomer and the dimer of trimethylaluminiumCHINESE JOURNAL OF CHEMISTRY, 1998, 16 (03) : 209 - 212Hong, GYCao, XYWang, DXLi, LMXu, GX
- [9] The interaction between NO and Z-CuO zeolite models:: ab initio and density functional theory (DFT) studyJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002, 592 : 29 - 36Soscún, HCastellano, OArrieta, FHernández, J
- [10] Hybrid ab initio VB/MM method - A valence bond ride through classical landscapesJOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (49): : 23638 - 23644Shurki, ACrown, HA