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Results: 1-10 |
Results: 10
Analysis of cation distribution in the octahedral sheet of dioctahedral 2 : 1 phyllosilicates by using inverse Monte Carlo methods
Authors: Sainz-Diaz, CI Cuadros, J Hernandez-Laguna, A
Citation: Ci. Sainz-diaz et al., Analysis of cation distribution in the octahedral sheet of dioctahedral 2 : 1 phyllosilicates by using inverse Monte Carlo methods, PHYS CHEM M, 28(7), 2001, pp. 445-454
Theoretical modelling of cis-vacant and trans-vacant configurations in theoctahedral sheet of illites and smectites
Authors: Sainz-Diaz, CI Hernandez-Laguna, A Dove, MT
Citation: Ci. Sainz-diaz et al., Theoretical modelling of cis-vacant and trans-vacant configurations in theoctahedral sheet of illites and smectites, PHYS CHEM M, 28(5), 2001, pp. 322-331
Modeling of dioctahedral 2 : 1 phyllosilicates by means of transferable empirical potentials
Authors: Sainz-Diaz, CI Hernandez-Laguna, A Dove, MT
Citation: Ci. Sainz-diaz et al., Modeling of dioctahedral 2 : 1 phyllosilicates by means of transferable empirical potentials, PHYS CHEM M, 28(2), 2001, pp. 130-141
New channels in the reaction mechanism of the atmospheric oxidation of toluene
Authors: Uc, VH Garcia-Cruz, I Hernandez-Laguna, A Vivier-Bunge, A
Citation: Vh. Uc et al., New channels in the reaction mechanism of the atmospheric oxidation of toluene, J PHYS CH A, 104(33), 2000, pp. 7847-7855
Reaction mechanism of the acyl-enzyme formation in beta-lactam hydrolysis by means of quantum chemical modeling
Authors: Alvarez-Idaboy, JR Gonzalez-Jonte, R Hernandez-Laguna, A Smeyers, YG
Citation: Jr. Alvarez-idaboy et al., Reaction mechanism of the acyl-enzyme formation in beta-lactam hydrolysis by means of quantum chemical modeling, J MOL ST-TH, 504, 2000, pp. 13-28
Adsorption mechanism and structure of the montmorillonite complexes with (CH3)(2)XO (X = C, and S), (CH3O)(3)PO, and CH3-CN molecules
Authors: Dios-Cancela, G Alfonso-Mendez, L Huertas, FJ Romero-Taboada, E Sainz-Diaz, CI Hernandez-Laguna, A
Citation: G. Dios-cancela et al., Adsorption mechanism and structure of the montmorillonite complexes with (CH3)(2)XO (X = C, and S), (CH3O)(3)PO, and CH3-CN molecules, J COLL I SC, 222(1), 2000, pp. 125-136
Isomorphous substitution effect on the vibration frequencies of hydroxyl groups in molecular cluster models of the clay octahedral sheet
Authors: Sainz-Diaz, CI Timon, V Botella, V Hernandez-Laguna, A
Citation: Ci. Sainz-diaz et al., Isomorphous substitution effect on the vibration frequencies of hydroxyl groups in molecular cluster models of the clay octahedral sheet, AM MINERAL, 85(7-8), 2000, pp. 1038-1045
trans-2,2 '-Dinitrostilbene as a precursor of o-nitrobenzaldehyde, a key intermediate for pharmaceuticals: reactivity and molecular structure studies
Authors: Sainz-Diaz, CI Hernandez-Laguna, A
Citation: Ci. Sainz-diaz et A. Hernandez-laguna, trans-2,2 '-Dinitrostilbene as a precursor of o-nitrobenzaldehyde, a key intermediate for pharmaceuticals: reactivity and molecular structure studies, J CHEM S P2, (7), 1999, pp. 1489-1495
Soft Coulomb hole method applied to theoretical equilibrium geometries of singlet diatomic molecules
Authors: Hernandez-Laguna, A Alfonso-Mendez, L Otto, P
Citation: A. Hernandez-laguna et al., Soft Coulomb hole method applied to theoretical equilibrium geometries of singlet diatomic molecules, J CHEM PHYS, 110(15), 1999, pp. 7160-7165
Analysis of Fe segregation in the octahedral sheet of bentonitic illite-smectite by means of FTIR, Al-27 MAS NMR and reverse Monte Carlo simulations
Authors: Cuadros, J Sainz-Diaz, CI Ramirez, R Hernandez-Laguna, A
Citation: J. Cuadros et al., Analysis of Fe segregation in the octahedral sheet of bentonitic illite-smectite by means of FTIR, Al-27 MAS NMR and reverse Monte Carlo simulations, AM J SCI, 299(4), 1999, pp. 289-308
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