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- [32] Comparative Investigation of the Structure and IR of Tetrazolate Ion with Density Functional Theory and MP2 Ab initio Methods Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities, 1999, 20 (05): : 786 - 787
- [33] Comparative investigation of the structure and IR of tetrazolate ion with density functional theory and MP2 ab initio methods CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 1999, 20 (05): : 782 - 787
- [34] BASIS SET LIMIT GEOMETRIES FOR AMMONIA AT THE SCF AND MP2 LEVELS OF THEORY JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (07): : 3353 - 3355
- [38] Modeling of the "hydration shell" of uracil and thymine in small water clusters by DFT and MP2 methods JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2007, 24 (06): : 666 - 666
- [39] Assessment of various DFT, DFT-D, and MP2 methods for studying FOX-7 detonation properties Journal of Molecular Modeling, 2017, 23
- [40] Structure and binding energy of anion-π and cation-π complexes:: A comparison of MP2, RI-MP2, DFT, and DF-DFT methods JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (20): : 4632 - 4637