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Results: 1-8 |
Results: 8
Combination of XANES spectroscopy and molecular dynamics to probe the local structure in disordered systems - art. no. 092201
Authors: Merkling, PJ Munoz-Paez, A Pappalardo, RR Marcos, ES
Citation: Pj. Merkling et al., Combination of XANES spectroscopy and molecular dynamics to probe the local structure in disordered systems - art. no. 092201, PHYS REV B, 6409(9), 2001, pp. 2201
Molecular-dynamics-based investigation of scattering path contributions tothe EXAFS spectrum: The Cr3+ aqueous solution case - art. no. 012201
Authors: Merkling, PJ Munoz-Paez, A Martinez, JM Pappalardo, RR Marcos, ES
Citation: Pj. Merkling et al., Molecular-dynamics-based investigation of scattering path contributions tothe EXAFS spectrum: The Cr3+ aqueous solution case - art. no. 012201, PHYS REV B, 6401(1), 2001, pp. 2201
Theoretical study of the microsolvation of the bromide anion in water, methanol, and acetonitrile: Ion-solvent vs solvent-solvent interactions
Authors: Ayala, R Martinez, JM Pappalardo, RR Marcos, ES
Citation: R. Ayala et al., Theoretical study of the microsolvation of the bromide anion in water, methanol, and acetonitrile: Ion-solvent vs solvent-solvent interactions, J PHYS CH A, 104(12), 2000, pp. 2799-2807
Coupling a polarizable water model to the hydrated ion-water interaction potential: A test on the Cr3+ hydration
Authors: Martinez, JM Hernandez-Cobos, J Saint-Martin, H Pappalardo, RR Ortega-Blake, I Marcos, ES
Citation: Jm. Martinez et al., Coupling a polarizable water model to the hydrated ion-water interaction potential: A test on the Cr3+ hydration, J CHEM PHYS, 112(5), 2000, pp. 2339-2347
Unusual spectroscopic behaviour of the carbonyl and carbon-carbon double-bond groups in the infrared spectra of simple nitroenaminoketone derivatives
Authors: Taoufik, N Pappalardo, RR Marcos, ES
Citation: N. Taoufik et al., Unusual spectroscopic behaviour of the carbonyl and carbon-carbon double-bond groups in the infrared spectra of simple nitroenaminoketone derivatives, CHEM P LETT, 323(5-6), 2000, pp. 400-406
Electrophilic and nucleophilic reactivities of the azomethine carbon of SAMP-hydrazones: Stereoselective synthesis of gamma-amino ketone derivatives
Authors: Enders, D Diez, E Fernandez, R Martin-Zamora, E Munoz, JM Pappalardo, RR Lassaletta, JM
Citation: D. Enders et al., Electrophilic and nucleophilic reactivities of the azomethine carbon of SAMP-hydrazones: Stereoselective synthesis of gamma-amino ketone derivatives, J ORG CHEM, 64(17), 1999, pp. 6329-6336
Shape and size of simple cations in aqueous solutions: A theoretical reexamination of the hydrated ion via computer simulations
Authors: Martinez, JM Pappalardo, RR Marcos, ES
Citation: Jm. Martinez et al., Shape and size of simple cations in aqueous solutions: A theoretical reexamination of the hydrated ion via computer simulations, J CHEM PHYS, 110(3), 1999, pp. 1669-1676
First-principles ion-water interaction potentials for highly charged monatomic cations. Computer simulations of Al3+, Mg2+, and Be2+ in water
Authors: Martinez, JM Pappalardo, RR Marcos, ES
Citation: Jm. Martinez et al., First-principles ion-water interaction potentials for highly charged monatomic cations. Computer simulations of Al3+, Mg2+, and Be2+ in water, J AM CHEM S, 121(13), 1999, pp. 3175-3184
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