共 50 条
- [31] SIMULATED AB-INITIO MOLECULAR-ORBITAL METHOD FOR POLYMERS - POLYGLYCINECHEMICAL PHYSICS LETTERS, 1975, 32 (03) : 602 - 606DUKE, BJEILERS, JEOLEARY, B
- [32] MOLECULAR ENERGY-LEVELS OF AZOLES - STUDY BY PHOTOELECTRON SPECTROSCOPY AND AB-INITIO MOLECULAR-ORBITAL CALCULATIONSTETRAHEDRON, 1973, 29 (14) : 2173 - 2181CRADOCK, SFINDLAY, RHPALMER, MH
- [33] STEREOELECTRONIC EFFECTS IN REACTIONS OF PHOSPHATE DIESTERS - AB-INITIO MOLECULAR-ORBITAL CALCULATIONS OF REACTION PROFILESJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (24) : 8048 - 8049GORENSTEIN, DGLUXON, BAFINDLAY, JB
- [34] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS ON H2NPH2 - STEREOCHEMISTRY AT NITROGENJOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1972, (20) : 1147 - &CSIZMADI.IGCOWLEY, AHTAYLOR, MWTEL, LMWOLFE, S
- [35] AB-INITIO AND INDO MOLECULAR-ORBITAL CALCULATIONS OF GEOMETRIES AND ELECTRONIC-STRUCTURES OF SUBSTITUTED SULFINESTETRAHEDRON, 1977, 33 (05) : 539 - 545VANLIEROP, JVANDERAVOIRD, A
- [36] AB-INITIO CALCULATIONS OF THE RELATIVE RESONANCE STABILIZATION ENERGIES OF ALLYL AND BENZYL RADICALSJOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (41): : 10460 - 10464HROVAT, DABORDEN, WT
- [37] AB-INITIO MOLECULAR-ORBITAL STUDY OF SUBSTITUTED CARBONYL-COMPOUNDSTHEORETICA CHIMICA ACTA, 1975, 36 (03): : 195 - 206DELBENE, JEWORTH, GTMARCHESE, FTCONRAD, ME
- [38] AB-INITIO MOLECULAR-ORBITAL STUDY OF THE REARRANGEMENT OF FLUOROALLENE TO SINGLET FLUOROVINYLMETHYLENEJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 118 (01): : 23 - 33HONJOU, NPACANSKY, JYOSHIMINE, M
- [39] AN AB-INITIO MOLECULAR-ORBITAL STUDY OF THE UNIMOLECULAR DISSOCIATION REACTIONS OF VINYLCHLORIDEJOURNAL OF CHEMICAL PHYSICS, 1994, 100 (12): : 8976 - 8990RIEHL, JFMOROKUMA, K
- [40] AN AB-INITIO MOLECULAR-ORBITAL STUDY OF THE INSERTIONS OF DIFLUOROCARBENE INTO SUBSTITUTED ETHENESCROATICA CHEMICA ACTA, 1994, 67 (02) : 189 - 195WONG, CKLI, WK