共 14 条
- [1] Structure and stability of [H-2,Cl,O](+) triplet state cations - A G2 ab initio molecular orbital studyJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1997, 398 : 417 - 425Manuel, MMo, OYanez, M
- [2] Structure and stability of [H2,O2]+ doublet and quartet state cations.: An ab initio molecular orbital studyANALES DE QUIMICA-INTERNATIONAL EDITION, 1997, 93 (05): : 310 - 315Gonzalez, AIMo, OYanez, M
- [3] On the structure of the monohydrated superoxide molecular anion, O2-•(H2O).: An ab initio molecular orbital studyPHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1999, 1 (17) : 3961 - 3966Robinson, EMCHolstein, WLStewart, GMBuntine, MA
- [4] On the relative heats of formation of C3H7O+ ions. An ab initio molecular orbital [G2(MP2) and CBS-Q] study - CommentEUROPEAN MASS SPECTROMETRY, 1995, 1 (05): : 499 - 500Andersen, PEHammerum, S
- [5] Ab initio and transition state theory study of the OH + HO2 → H2O + O2(3Σg-)/O2(1Δg) reactions: yield and role of O2(1Δg) in H2O2 decomposition and in combustion of H2PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 20 (06) : 4478 - 4489Monge-Palacios, M.Sarathy, S. Mani
- [7] DFT:B3LYP ab initio molecular dynamics study of the Zundel and Eigen proton complexes, H5O2+ and H9O4+, in the triplet state in gas phase and solutionJOURNAL OF CHEMICAL PHYSICS, 2004, 120 (03): : 1217 - 1222Tulub, AA
- [8] G2 AB-INITIO CALCULATIONS ON THE THERMOCHEMISTRY OF [P,N,HN] (N = 0-2) AND [P,N,HN](+)(N = 0-3) SPECIES AND ON THE POTENTIAL-ENERGY SURFACES OF [P,N,H3](+) SINGLET-STATE AND TRIPLET-STATE CATIONSJOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (25): : 6607 - 6615ESSEFFAR, MLUNA, AMO, OYANEZ, M
- [10] Ab initio study of the isomerism, structure, and stability of Li[XMY2] molecules and Li[XM′Y2]+ ions (M = C, Si; M′ = N, P; X = F, Cl, H; Y=O, S)RUSSIAN JOURNAL OF INORGANIC CHEMISTRY, 2002, 47 (02) : 240 - 254Charkin, OPKlimenko, NMMcKee, ML