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Results: 1-11 |
Results: 11
Gas-phase reactivity of Ni+ with glycine
Authors: Rodriguez-Santiago, L Sodupe, M Tortajada, J
Citation: L. Rodriguez-santiago et al., Gas-phase reactivity of Ni+ with glycine, J PHYS CH A, 105(22), 2001, pp. 5340-5347
Effect of counterpoise correction on the geometries and vibrational frequencies of hydrogen bonded systems
Authors: Simon, S Bertran, J Sodupe, M
Citation: S. Simon et al., Effect of counterpoise correction on the geometries and vibrational frequencies of hydrogen bonded systems, J PHYS CH A, 105(17), 2001, pp. 4359-4364
Protonation of glycine, serine and cysteine. Conformations, proton affinities and intrinsic basicities
Authors: Noguera, M Rodriguez-Santiago, L Sodupe, M Bertran, J
Citation: M. Noguera et al., Protonation of glycine, serine and cysteine. Conformations, proton affinities and intrinsic basicities, J MOL ST-TH, 537, 2001, pp. 307-318
Solvent-assisted catalysis in the enolization of acetaldehyde radical cation
Authors: Rodriguez-Santiago, L Vendrell, O Tejero, I Sodupe, M Bertran, J
Citation: L. Rodriguez-santiago et al., Solvent-assisted catalysis in the enolization of acetaldehyde radical cation, CHEM P LETT, 334(1-3), 2001, pp. 112-118
Intramolecular proton transfer in glycine radical cation
Authors: Rodriguez-Santiago, L Sodupe, M Oliva, A Bertran, J
Citation: L. Rodriguez-santiago et al., Intramolecular proton transfer in glycine radical cation, J PHYS CH A, 104(6), 2000, pp. 1256-1261
Theoretical study of the structure of ZCu(NO2)(NO). A proposed intermediate in the NOx decomposition by Cu-ZSM-5
Authors: Solans-Monfort, X Branchadell, V Sodupe, M
Citation: X. Solans-monfort et al., Theoretical study of the structure of ZCu(NO2)(NO). A proposed intermediate in the NOx decomposition by Cu-ZSM-5, J PHYS CH A, 104(14), 2000, pp. 3225-3230
Gas phase intramolecular proton transfer in cationized glycine and chlorine substituted derivatives (M-gly, M = Na+, Mg2+, Cu+, Ni+, and Cu2+): Existence of zwitterionic structures?
Authors: Pulkkinen, S Noguera, M Rodriguez-Santiago, L Sodupe, M Bertran, J
Citation: S. Pulkkinen et al., Gas phase intramolecular proton transfer in cationized glycine and chlorine substituted derivatives (M-gly, M = Na+, Mg2+, Cu+, Ni+, and Cu2+): Existence of zwitterionic structures?, CHEM-EUR J, 6(23), 2000, pp. 4393-4399
The different nature of bonding in Cu+-glycine and Cu2+-glycine
Authors: Bertran, J Rodriguez-Santiago, L Sodupe, M
Citation: J. Bertran et al., The different nature of bonding in Cu+-glycine and Cu2+-glycine, J PHYS CH B, 103(12), 1999, pp. 2310-2317
Ground state of the (H2O)(2)(+) radical cation: DFT versus post-Hartree-Fock methods
Authors: Sodupe, M Bertran, J Rodriguez-Santiago, L Baerends, EJ
Citation: M. Sodupe et al., Ground state of the (H2O)(2)(+) radical cation: DFT versus post-Hartree-Fock methods, J PHYS CH A, 103(1), 1999, pp. 166-170
Density functional cluster model study of bonding and coordination modes of CO2 on Pd(111)
Authors: Habas, MP Mele, F Sodupe, M Illas, F
Citation: Mp. Habas et al., Density functional cluster model study of bonding and coordination modes of CO2 on Pd(111), SURF SCI, 431(1-3), 1999, pp. 208-219
Hydrogen atom or proton transfer in neutral and single positive ions of salicylic acid and related compounds
Authors: Rodriguez-Santiago, L Sodupe, M Oliva, A Bertran, J
Citation: L. Rodriguez-santiago et al., Hydrogen atom or proton transfer in neutral and single positive ions of salicylic acid and related compounds, J AM CHEM S, 121(38), 1999, pp. 8882-8890
Risultati: 1-11 |