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Results: 1-10 |
Results: 10
An effective harmonic potential for aluminophosphate molecular sieves: application to AlPO4-5
Authors: Demontis, P Gonzalez, JG Suffritti, GB Tilocca, A de las Pozas, C
Citation: P. Demontis et al., An effective harmonic potential for aluminophosphate molecular sieves: application to AlPO4-5, MICROP M M, 42(1), 2001, pp. 103-111
Application of the Wolf method for the evaluation of Coulombic interactions to complex condensed matter systems: Aluminosilicates and water
Authors: Demontis, P Spanu, S Suffritti, GB
Citation: P. Demontis et al., Application of the Wolf method for the evaluation of Coulombic interactions to complex condensed matter systems: Aluminosilicates and water, J CHEM PHYS, 114(18), 2001, pp. 7980-7988
Simulations of interlayer methanol in Ca- and Na-saturated montmorillonites using molecular dynamics
Authors: Pintore, M Deiana, S Demontis, P Manunza, B Suffritti, GB Gessa, C
Citation: M. Pintore et al., Simulations of interlayer methanol in Ca- and Na-saturated montmorillonites using molecular dynamics, CLAY CLAY M, 49(3), 2001, pp. 255-262
Statics and dynamics of ethane molecules in AlPO4-5: A molecular dynamics simulation study
Authors: Demontis, P Gonzalez, JG Suffritti, GB Tilocca, A
Citation: P. Demontis et al., Statics and dynamics of ethane molecules in AlPO4-5: A molecular dynamics simulation study, J AM CHEM S, 123(21), 2001, pp. 5069-5074
Application of the two-step model to the diffusion of linear diatomic and triatomic molecules in silicalite
Authors: Demontis, P Karger, J Suffritti, GB Tilocca, A
Citation: P. Demontis et al., Application of the two-step model to the diffusion of linear diatomic and triatomic molecules in silicalite, PHYS CHEM P, 2(7), 2000, pp. 1455-1463
Two- and N-step correlated models for the analysis of molecular dynamics trajectories of linear molecules in silicalite
Authors: Demontis, P Suffritti, GB Tilocca, A
Citation: P. Demontis et al., Two- and N-step correlated models for the analysis of molecular dynamics trajectories of linear molecules in silicalite, J CHEM PHYS, 113(17), 2000, pp. 7588-7592
Electric-field-dependent empirical potentials for molecules and crystals: A first application to flexible water molecule adsorbed in zeolites
Authors: Cicu, P Demontis, P Spanu, S Suffritti, GB Tilocca, A
Citation: P. Cicu et al., Electric-field-dependent empirical potentials for molecules and crystals: A first application to flexible water molecule adsorbed in zeolites, J CHEM PHYS, 112(19), 2000, pp. 8267-8278
Recombination reactions and diffusive properties of diatomic molecules in two different microporous structures: Silicalite and ZK4
Authors: Demontis, P Suffritti, GB Tilocca, A
Citation: P. Demontis et al., Recombination reactions and diffusive properties of diatomic molecules in two different microporous structures: Silicalite and ZK4, J PHYS CH B, 103(38), 1999, pp. 8141-8152
Molecular dynamics simulation of an activated transfer reaction in zeolites
Authors: Demontis, P Suffritti, GB Tilocca, A
Citation: P. Demontis et al., Molecular dynamics simulation of an activated transfer reaction in zeolites, J CHEM PHYS, 111(12), 1999, pp. 5529-5543
"Two-step" model of molecular diffusion in silicalite
Authors: Karger, J Demontis, P Suffritti, GB Tilocca, A
Citation: J. Karger et al., "Two-step" model of molecular diffusion in silicalite, J CHEM PHYS, 110(2), 1999, pp. 1163-1172
Risultati: 1-10 |