共 50 条
- [41] Accurate determination of the structure of 1,3,5-trifluorobenzene by femtosecond rotational Raman coherence spectroscopy and ab initio calculationsCHEMICAL PHYSICS, 2010, 367 (01) : 36 - 43Kummli, Dominique S.Frey, Hans-MartinLeutwyler, Samuel
- [42] Stereodynamics of 1,3,5-trialkyl-1,3,5-triazacyclohexanes:: 1H and 13C dynamic NMR studies.: Solvent effects.: Ab initio and molecular mechanics calculationsJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (02) : 308 - 323Jewett, JGBreeyear, JJBrown, JHBushweller, CH
- [44] Ab initio study of molecular structure and hyperfine coupling constants of 1,3,5-cycloheptatriene radical cationJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1998, 428 : 143 - 148Inadomi, YMorihashi, KKikuchi, O
- [45] Ab initio calculations on 1,3,5,-trimethylenebenzene and its negative ion provide predictions about the photoelectron spectrum of the ionJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (28) : 6564 - 6574Kemnitz, CRSquires, RRBorden, WT
- [46] Conformations of silicon-containing rings Part 1. A conformational study on 1,3,5-trisilacyclohexane. Comparison of ab initio, semiempirical, and molecular mechanics calculations. Conformational energy surface of 1,3,5-trisilacyclohexaneTHEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1998, 454 (01): : 91 - 102Arnason, IThorarinsson, GKMatern, E
- [47] FORMATION OF ANIONIC HYDRIDE SIGMA-COMPLEX DURING ACTION OF 1,3,5-TRINITROBENZENE ON COENZYME OF NAD-N, ITS MODELS AND DIHYDRODERIVATIVES OF OTHER NITROUS HETEROCYCLESDOKLADY AKADEMII NAUK SSSR, 1977, 234 (04): : 841 - 844POZHARSKII, AFSUSLOV, ANKATAEV, VA
- [48] Ab Initio Calculations of Partial Charges at Kaolinite Edge Sites and Molecular Dynamics Simulations of Cation Adsorption in Saline Solutions at and above the pH of Zero ChargeJOURNAL OF PHYSICAL CHEMISTRY C, 2019, 123 (37): : 22971 - 22980Quezada, Gonzalo R.Rozas, Roberto E.Toledo, Pedro G.
- [49] Ab initio molecular orbital study of 1,3,5-triazine derivatives for phosphorescent organic light emitting devicesCHEMICAL PHYSICS LETTERS, 2005, 415 (1-3) : 137 - 140Chu, TYHo, MHChen, JFChen, CH
- [50] Molecular orbital studies of methoxy-1,3,5-cycloheptatriene isomers: Results from semiempirical, ab initio, and density functional theory calculationsJOURNAL OF ORGANIC CHEMISTRY, 1996, 61 (03): : 969 - 977Donovan, WHWhite, WE
