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- [2] High-level ab initio and density functional theory evaluation of combustion reaction energetics:: NO2 and HONO elimination from dimethylnitramine JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (44): : 8840 - 8846
- [3] High-level ab initio and density functional theory study on reaction path and rate constant of the hydrogen abstraction reaction SiH2Cl2+H → SiHCl2+H2 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2001, 543 : 11 - 21
- [4] Density functional theory and ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CHCl3-nFn (n=0, 1, and 2) and CH2Cl2 JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (02): : 320 - 325
- [6] Gas-phase acidities of HM(=X)XH (M = C, Si; X = O, S) acids calculated by ab initio molecular orbital methods at the G2 level of theory Chemical Physics Letters, 263 (3-4):
- [9] Density functional theory and ab initio direct dynamics studies on the hydrogen abstraction reactions of SiH4-n (CH3)n+H→SiH3-n(CH3)n+H2, n=1-3 JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (29): : 7072 - 7078