AAAAAA

   
Results: 1-12 |
Results: 12
A topological study of the transition states of the hydrogen exchange and dehydrogenation reactions of methane on a zeolite cluster
Authors: Okulik, NB Diez, RP Jubert, AH Esteves, PM Mota, CJA
Citation: Nb. Okulik et al., A topological study of the transition states of the hydrogen exchange and dehydrogenation reactions of methane on a zeolite cluster, J PHYS CH A, 105(29), 2001, pp. 7079-7084
A density functional study of small NixSn clusters with x = 1-4
Authors: Finetti, M Ottavianelli, EE Diez, RP Jubert, AH
Citation: M. Finetti et al., A density functional study of small NixSn clusters with x = 1-4, COMP MAT SC, 20(1), 2001, pp. 57-65
UV spectroscopic analysis of substituted 1,2,4-trioxanes. Theoretical and experimental study of cis-6-phenyl-5,6-(2-phenylpropylidene)-3,3-tetramethylene-1,2,4-trioxacyclohexane, cis-6-(4-fluorophenyl)-5,6-(2-(4-fluorophenyl)-propylidene)-3,3-tetramethylene-1,2,4-trioxacyclohexane and cis-6-(-4-methylphenyl)-5,6-(2-(4-methylphenyl)-propylidene)-3,3-tetramethylene-1,2,4-trioxacyclohexane molecules
Authors: Jubert, AH Diez, RP Cafferata, LFR
Citation: Ah. Jubert et al., UV spectroscopic analysis of substituted 1,2,4-trioxanes. Theoretical and experimental study of cis-6-phenyl-5,6-(2-phenylpropylidene)-3,3-tetramethylene-1,2,4-trioxacyclohexane, cis-6-(4-fluorophenyl)-5,6-(2-(4-fluorophenyl)-propylidene)-3,3-tetramethylene-1,2,4-trioxacyclohexane and cis-6-(-4-methylphenyl)-5,6-(2-(4-methylphenyl)-propylidene)-3,3-tetramethylene-1,2,4-trioxacyclohexane molecules, J MOL ST-TH, 545, 2001, pp. 167-177
Density functional study of small Ni-n clusters, with n=2-6, 8, using the generalized gradient approximation
Authors: Michelini, MC Diez, RP Jubert, AH
Citation: Mc. Michelini et al., Density functional study of small Ni-n clusters, with n=2-6, 8, using the generalized gradient approximation, INT J QUANT, 85(1), 2001, pp. 22-33
Using hydrogen atoms to terminate zeolite clusters: A semiempirical study
Authors: Okulik, NB Diez, RP Jubert, AH
Citation: Nb. Okulik et al., Using hydrogen atoms to terminate zeolite clusters: A semiempirical study, COMP MAT SC, 17(1), 2000, pp. 88-92
A conformational study of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane using molecular dynamics and density functional theory
Authors: Diez, RP Jubert, AH
Citation: Rp. Diez et Ah. Jubert, A conformational study of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane using molecular dynamics and density functional theory, J MOL ST-TH, 499, 2000, pp. 85-89
Density functional study of small molybdenum clusters
Authors: Diez, RP
Citation: Rp. Diez, Density functional study of small molybdenum clusters, INT J QUANT, 76(1), 2000, pp. 105-112
Theoretical evidence of bound metastable states in the doubly ionized nickel dimer Ni-2(2+)
Authors: Diez, RP Alonso, JA
Citation: Rp. Diez et Ja. Alonso, Theoretical evidence of bound metastable states in the doubly ionized nickel dimer Ni-2(2+), CHEM P LETT, 332(5-6), 2000, pp. 481-486
Experimental and theoretical studies of the vibrational spectra of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane
Authors: Jubert, AH Diez, RP Cafferata, LFR
Citation: Ah. Jubert et al., Experimental and theoretical studies of the vibrational spectra of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane, J RAMAN SP, 30(6), 1999, pp. 479-484
Experimental and theoretical study of the vibrational spectra of the 3,3,6,6,9,9-hexamethyl-1,4,7-cyclononatriperoxane molecule
Authors: Jubert, AH Diez, RP Castro, EA Canizo, AI Cafferata, LFR
Citation: Ah. Jubert et al., Experimental and theoretical study of the vibrational spectra of the 3,3,6,6,9,9-hexamethyl-1,4,7-cyclononatriperoxane molecule, J RAMAN SP, 30(1), 1999, pp. 45-51
Density functional calculations of Ni-5 and Ni-6 clusters
Authors: Michelini, MC Diez, RP Jubert, AH
Citation: Mc. Michelini et al., Density functional calculations of Ni-5 and Ni-6 clusters, J MOL ST-TH, 490, 1999, pp. 181-188
Theoretical studies on small transition metal clusters
Authors: Diez, RP Jubert, AH
Citation: Rp. Diez et Ah. Jubert, Theoretical studies on small transition metal clusters, TR INORGAN, 5, 1998, pp. 125-144
Risultati: 1-12 |