共 50 条
- [21] An ab initio molecular orbital study of quinones of pentaleneJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002, 589 : 459 - 464Yavari, IZabarjad-Shiraz, NDehghan, SRoohi, HShiri, M
- [22] Ab initio molecular orbital calculations and visualizations on the PCABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 211 : 95 - COMPForesman, JB
- [23] Ab initio molecular orbital calculations on silica ringsJournal of Non-Crystalline Solids, 1999, 255 (02): : 163 - 170Nedelec, J.M.Hench, L.L.
- [24] Ab initio molecular orbital calculations on silica ringsJOURNAL OF NON-CRYSTALLINE SOLIDS, 1999, 255 (2-3) : 163 - 170Nedelec, JMHench, LL
- [25] AB-INITIO MOLECULAR-ORBITAL THEORYACCOUNTS OF CHEMICAL RESEARCH, 1976, 9 (11) : 399 - 406HEHRE, WJ
- [26] AB-INITIO MOLECULAR-ORBITAL CLUSTER STUDIES OF THE ZEOLITE ZSM-5 .1. PROTON AFFINITIESJOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (49): : 12773 - 12782BRAND, HVCURTISS, LAITON, LE
- [27] Oxidative aromatic substitutions: Hartree-Fock/density functional and ab initio molecular orbital studies of benzene and toluene nitrosationJOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (21): : 4261 - 4269Skokov, SWheeler, RA
- [28] Combined ab Initio Molecular Dynamics and Experimental Studies of Carbon Atom Addition to BenzeneJOURNAL OF PHYSICAL CHEMISTRY A, 2014, 118 (15): : 2801 - 2809McKee, Michael L.Reisenauer, Hans PeterSchreiner, Peter R.
- [29] Ab initio molecular orbital calculations on the boson peak frequencies of molecular glassesPROGRESS OF THEORETICAL PHYSICS SUPPLEMENT, 1997, (126): : 147 - 150Uchino, TYoko, T
- [30] Ab initio molecular orbital/molecular dynamics simulations of electron transfer.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 215 : U266 - U266Wheeler, RASkokov, S