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Results: 1-13 |
Results: 13
DFT calculations on the protonation of alkanes on HF/SbF5 superacids usingcluster models
Authors: Esteves, PM Ramirez-Solis, A Mota, CJA
Citation: Pm. Esteves et al., DFT calculations on the protonation of alkanes on HF/SbF5 superacids usingcluster models, J PHYS CH B, 105(19), 2001, pp. 4331-4336
Ab initio study of the adamantonium cations: the protonated adamantane
Authors: Esteves, PM Alberto, GGP Ramirez-Solis, A Mota, CJA
Citation: Pm. Esteves et al., Ab initio study of the adamantonium cations: the protonated adamantane, J PHYS CH A, 105(17), 2001, pp. 4308-4311
Accurate ab initio study on the spectroscopy of Ag and Ag+ including spin-orbit couplings aimed at molecular calculations
Authors: Ramirez-Solis, A Vallet, V Teichteil, C Leininger, T Daudey, JP
Citation: A. Ramirez-solis et al., Accurate ab initio study on the spectroscopy of Ag and Ag+ including spin-orbit couplings aimed at molecular calculations, J CHEM PHYS, 115(7), 2001, pp. 3201-3207
Ab initio studies of the reactions of M(S-1,P-3, and P-1) with GeH4 (M=Cd,Hg)
Authors: Luna-Garcia, H Ramirez-Solis, A Castillo, S
Citation: H. Luna-garcia et al., Ab initio studies of the reactions of M(S-1,P-3, and P-1) with GeH4 (M=Cd,Hg), J CHEM PHYS, 114(6), 2001, pp. 2647-2652
Theoretical study of the CuRu+H-2 molecular interaction
Authors: Colmenares, F Ramirez-Solis, A Novaro, O
Citation: F. Colmenares et al., Theoretical study of the CuRu+H-2 molecular interaction, CHEM P LETT, 345(1-2), 2001, pp. 111-117
The n-butonium cation (n-C4H11+): The potential energy surface of protonated n-butane
Authors: Esteves, PM Alberto, GGP Ramirez-Solis, A Mota, CJA
Citation: Pm. Esteves et al., The n-butonium cation (n-C4H11+): The potential energy surface of protonated n-butane, J PHYS CH A, 104(26), 2000, pp. 6233-6240
A theoretical study of alkane protonation in HF/SbF5 superacid system
Authors: Esteves, PM Ramirez-Solis, A Mota, CJA
Citation: Pm. Esteves et al., A theoretical study of alkane protonation in HF/SbF5 superacid system, J BRAZ CHEM, 11(4), 2000, pp. 345-348
Cyclic allenes or diradicals in the cyclization reactions of dienynes generated by photolysis of alkynylcyclohexadienones
Authors: Fernandez-Zertuche, M Hernandez-Lamoneda, R Ramirez-Solis, A
Citation: M. Fernandez-zertuche et al., Cyclic allenes or diradicals in the cyclization reactions of dienynes generated by photolysis of alkynylcyclohexadienones, J ORG CHEM, 65(17), 2000, pp. 5207-5211
The spectroscopy of AgF: CASSCF+CASPT2 calculations on the lowest (3)Sigma(+), (1)Sigma(+), (3)Pi, (1)Pi, (3)Delta, and (1)Delta excited states
Authors: Ramirez-Solis, A Daudey, JP
Citation: A. Ramirez-solis et Jp. Daudey, The spectroscopy of AgF: CASSCF+CASPT2 calculations on the lowest (3)Sigma(+), (1)Sigma(+), (3)Pi, (1)Pi, (3)Delta, and (1)Delta excited states, J CHEM PHYS, 113(19), 2000, pp. 8580-8588
Reactivity and electronic states of O-4 along minimum energy paths
Authors: Hernandez-Lamoneda, R Ramirez-Solis, A
Citation: R. Hernandez-lamoneda et A. Ramirez-solis, Reactivity and electronic states of O-4 along minimum energy paths, J CHEM PHYS, 113(10), 2000, pp. 4139-4145
Spin-orbit coupling in highly vibrationally excited O-2(upsilon) and O-2(upsilon=0)-O-2(upsilon)
Authors: Hernandez-Lamoneda, R Ramirez-Solis, A
Citation: R. Hernandez-lamoneda et A. Ramirez-solis, Spin-orbit coupling in highly vibrationally excited O-2(upsilon) and O-2(upsilon=0)-O-2(upsilon), CHEM P LETT, 321(3-4), 2000, pp. 191-196
Ab initio studies of the reactions of M(S-1, P-3, and P-1) with SiH4 (M=Cd, Hg)
Authors: Luna-Garcia, H Castillo, S Ramirez-Solis, A
Citation: H. Luna-garcia et al., Ab initio studies of the reactions of M(S-1, P-3, and P-1) with SiH4 (M=Cd, Hg), J CHEM PHYS, 110(23), 1999, pp. 11315-11322
The alkane sigma-bond basicity scale revisited
Authors: Esteves, PM Alberto, GGP Ramirez-Solis, A Mota, CJA
Citation: Pm. Esteves et al., The alkane sigma-bond basicity scale revisited, J AM CHEM S, 121(32), 1999, pp. 7345-7348
Risultati: 1-13 |