共 50 条
- [2] Computing electron affinities of radicals with density functional theory methodsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1997, 394 (01): : 19 - 23Jursic, BS
- [3] Ab initio and density functional theory calculations of proton affinities for volatile organic compoundsEUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS, 2007, 144 (1): : 191 - 195Wroblewski, T.Ziemczonek, L.Alhasan, A. M.Karwasz, G. P.
- [4] Ab initio and density functional theory calculations of proton affinities for volatile organic compoundsThe European Physical Journal Special Topics, 2007, 144 : 191 - 195T. WróblewskiL. ZiemczonekA. M. AlhasanG. P. Karwasz
- [5] Computation of electron affinities of O and F atoms, and energy profile of F-HP2 reaction by density functional theory and ab initio methodsJOURNAL OF CHEMICAL PHYSICS, 1996, 104 (11): : 4151 - 4156Jursic, BS
- [6] Computing electron affinities of radicals with density functional theory methods.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 228 - COMPJursic, BS
- [8] Tautomerism in uracil, cytosine and guanine: a comparison of electron correlation predicted by ab initio and density functional theory methodsJournal of Molecular Structure, 331 (1-2):Gould, I. R.Burton, N. A.Hall, R. J.Hillier, I. H.
- [9] High level of ab initio and hybrid density functional theory study of electron affinities for some multi-spin diatomic moleculesJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1998, 453 (1-3): : 149 - 152Jursic, BS
- [10] Ab initio molecular dynamics with density functional theoryANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2002, 53 : 249 - 290Tse, JS
