共 48 条
- [1] Complete basis set ab initio computational exploration of the lowest energy, unimolecular, triplet potential energy surface for triplet oxygen atom assisted acetylene rearrangement into vinylideneJOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (29): : 5773 - 5783Jursic, BS
- [2] Complete basis set ab initio exploring potential energy surface for triplet oxygen reaction with ethyleneJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 492 : 85 - 96Jursic, BS
- [3] Complete basis set ab initio computational study of triplet oxygen atom reaction with ethaneJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 499 : 91 - 98Jursic, BS
- [4] ISOMERIZATION-REACTIONS ON THE LOWEST POTENTIAL-ENERGY HYPERSURFACE OF TRIPLET VINYLIDENE AND TRIPLET ACETYLENEJOURNAL OF CHEMICAL PHYSICS, 1993, 98 (06): : 4766 - 4776VACEK, GTHOMAS, JRDELEEUW, BJYAMAGUCHI, YSCHAEFER, HF
- [5] Complete basis set, G1, G2, G2MP2, and density functional theory computational studies of the lowest energy triplet potential energy surface for acetylene-vinylidene rearrangementJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 496 : 83 - 93Jursic, BS
- [6] Complete basis set and gaussian ab initio exploration of singlet and triplet potential energy surface for molecular systems built from one hydrogen, oxygen and nitrogen atomsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 496 : 207 - 212Jursic, BS
- [7] A scaled ab initio potential energy surface for acetylene and vinylideneCHEMICAL PHYSICS LETTERS, 2003, 377 (5-6) : 582 - 588Xu, DGGuo, HZou, SLBowman, JM
- [8] A new ab initio potential energy surface describing acetylene/vinylidene isomerizationCHEMICAL PHYSICS LETTERS, 2003, 368 (3-4) : 421 - 424Zou, SLBowman, JM
- [9] Exploring the lowest energy triplet potential energy surface for cyclic C4H4 isomers with the complete basis set ab initio method.: Is the transformation of triafulvene into cyclobutadiene possible in their excited states?JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 490 : 133 - 144Jursic, BS
- [10] The unimolecular dissociation of H2CO on the lowest triplet potential-energy surfaceJOURNAL OF CHEMICAL PHYSICS, 1998, 108 (13): : 5281 - 5288Yamaguchi, YWesolowski, SSVan Huis, TJSchaefer, HF