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Results: 1-10 |
Results: 10
Geometry and hydration structure of Pt(II) square planar complexes [Pt(H2O)(4)](2+) and [PtCl4](2-) as studied by X-ray absorption spectroscopies andquantum-mechanical computations
Authors: Ayala, R Marcos, ES Diaz-Moreno, S Sole, VA Munoz-Paez, A
Citation: R. Ayala et al., Geometry and hydration structure of Pt(II) square planar complexes [Pt(H2O)(4)](2+) and [PtCl4](2-) as studied by X-ray absorption spectroscopies andquantum-mechanical computations, J PHYS CH B, 105(31), 2001, pp. 7588-7593
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
X-ray absorption spectroscopy study of the In-solution structure of Ni2+, Co2+, and Ag+ solvates in acetonitrile including multiple scattering contributions
Authors: Diaz-Moreno, S Munoz-Paez, A Marcos, ES
Citation: S. Diaz-moreno et al., X-ray absorption spectroscopy study of the In-solution structure of Ni2+, Co2+, and Ag+ solvates in acetonitrile including multiple scattering contributions, J PHYS CH B, 104(49), 2000, pp. 11794-11800
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
Importance of multiple-scattering phenomena in XAS structural determinations of [Ni(CN)(4)](2-) in condensed phases
Authors: Munoz-Paez, A Diaz-Moreno, S Marcos, ES Rehr, JJ
Citation: A. Munoz-paez et al., Importance of multiple-scattering phenomena in XAS structural determinations of [Ni(CN)(4)](2-) in condensed phases, INORG CHEM, 39(17), 2000, pp. 3784-3790
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
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
Risultati: 1-10 |