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Results:
1-15
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Results: 15
Authors:
Serrar, C
Es-Sofi, A
Boutalib, A
Ouassas, A
Jarid, A
Nebot-Gil, I
Tomas, F
Citation: C. Serrar et al., Theoretical study of the structural and fluxional behavior of copper(I)-octahydrotriborate complex, J PHYS CH A, 105(42), 2001, pp. 9776-9780
Authors:
Boutalib, A
Jarid, A
Nebot-Gil, I
Tomas, F
Citation: A. Boutalib et al., G2(MP2) investigation of alane-[X(CH3)(3)](-) (X = C, Si, and Ge) and alane-Y(CH3)(3) (Y = N, P, and As) interactions, J PHYS CH A, 105(26), 2001, pp. 6526-6529
Authors:
Torrens, F
Sanchez-Marin, J
Nebot-Gil, I
Citation: F. Torrens et al., New dimension indices for the characterization of the solvent-accessible surface, J COMPUT CH, 22(5), 2001, pp. 477-487
Authors:
Jarid, A
Boutalib, A
Nebot-Gil, I
Tomas, F
Citation: A. Jarid et al., Comparative G2(MP2) molecular orbital study of [H3AlX(CH3)(2)](-) (X = N, P, and As) and H3AlY(CH3)(2) (Y = O, S, and Se) donor-acceptor complexes, J MOL ST-TH, 572, 2001, pp. 161-167
Authors:
Piqueras, MC
Crespo, R
Nebot-Gil, I
Tomas, F
Citation: Mc. Piqueras et al., Thermochemical analysis of the OH+C2H4 -> C2H4OH reaction using accurate theoretical methods, J MOL ST-TH, 537, 2001, pp. 199-212
Authors:
Perez-Casany, MP
Nebot-Gil, I
Sanchez-Marin, J
Citation: Mp. Perez-casany et al., Ab initio study on the mechanism of the reactions of the nitrate radical with haloalkenes: 1,2-dichloroethene, 1,1-dichloroethene, trichloroethene, and tetrachloroethene, J PHYS CH A, 104(48), 2000, pp. 11340-11346
Authors:
Perez-Casany, MP
Nebot-Gil, I
Sanchez-Marin, J
Citation: Mp. Perez-casany et al., DFT theoretical study on the reaction mechanism of the nitrate radical with alkenes: 2-butene, isobutene, 2-methyl-2-butene, and 2,3-dimethyl-2-butene, J PHYS CH A, 104(46), 2000, pp. 10721-10730
Authors:
Perez-Casany, MP
Nebot-Gil, I
Sanchez-Marin, J
Citation: Mp. Perez-casany et al., Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with alkenes: Propene, J PHYS CH A, 104(26), 2000, pp. 6277-6286
Authors:
Anane, H
Jarid, A
Boutalib, A
Nebot-Gil, I
Tomas, F
Citation: H. Anane et al., G2(MP2) molecular orbital study of the substituent effect in the H3BPH3-nFn (n=0-3) donor-acceptor complexes, CHEM P LETT, 324(1-3), 2000, pp. 156-160
Authors:
Perez-Casany, MP
Sanchez-Marin, J
Nebot-Gil, I
Citation: Mp. Perez-casany et al., Ab initio study on the mechanism of tropospheric reactions of the nitrate radical with haloalkenes: Chloroethene, J AM CHEM S, 122(47), 2000, pp. 11585-11595
Authors:
Torrens, F
Sanchez-Marin, J
Nebot-Gil, I
Citation: F. Torrens et al., Polarization by the effect of a small torsional change in the benzothiazole (A) benzobisthiazole (B) oligomer A-B-13-A, MOLECULES, 4(1), 1999, pp. 28-51
Authors:
Torrens, F
Sanchez-Marin, J
Nebot-Gil, I
Citation: F. Torrens et al., Interacting induced dipoles polarization model for molecular polarizabilities. Reference molecules, amino acids and model peptides, THEOCHEM, 463(1-2), 1999, pp. 27-39
Authors:
Anane, H
Boutalib, A
Nebot-Gil, I
Tomas, F
Citation: H. Anane et al., A G2 study of H3BXHn (X = N, O, F, P, S, and Cl) donor-acceptor complexes, THEOCHEM, 463(1-2), 1999, pp. 53-57
Authors:
Torrens, F
Sanchez-Marin, J
Nebot-Gil, I
Citation: F. Torrens et al., Universal model for the calculation of all organic solvent-water partitioncoefficients, J CHROMAT A, 827(2), 1998, pp. 345-358
Authors:
Anane, H
Jarid, A
Boutalib, A
Nebot-Gil, I
Tomas, F
Citation: H. Anane et al., Substituent effect on ammonia-borane donor-acceptor complexes: a G2(MP2) molecular orbital study, THEOCHEM, 455(1), 1998, pp. 51-57
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