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Results: 1-14 |
Results: 14
Olefin insertion into the rhodium-hydrogen bond as the step determining the regioselectivity of rhodium-catalyzed hydroformylation of vinyl substrates: Comparison between theoretical and experimental results
Authors: Alagona, G Ghio, C Lazzaroni, R Settambolo, R
Citation: G. Alagona et al., Olefin insertion into the rhodium-hydrogen bond as the step determining the regioselectivity of rhodium-catalyzed hydroformylation of vinyl substrates: Comparison between theoretical and experimental results, ORGANOMETAL, 20(25), 2001, pp. 5394-5404
Reaction mechanisms between methylamine and a few Schiff bases: Ab initio potential energy surfaces of a catalytic step in semicarbazide sensitive amino oxidases (SSAO)
Authors: Alagona, G Ghio, C
Citation: G. Alagona et C. Ghio, Reaction mechanisms between methylamine and a few Schiff bases: Ab initio potential energy surfaces of a catalytic step in semicarbazide sensitive amino oxidases (SSAO), INT J QUANT, 84(6), 2001, pp. 740-749
Ab initio modeling of competitive drug-drug interactions: 5-fluorouracil dimers in the gas phase and in solution
Authors: Alagona, G Ghio, C Monti, S
Citation: G. Alagona et al., Ab initio modeling of competitive drug-drug interactions: 5-fluorouracil dimers in the gas phase and in solution, INT J QUANT, 83(3-4), 2001, pp. 128-142
Continuum solvent effects on various isomers of bilirubin
Authors: Alagona, G Ghio, C Monti, S
Citation: G. Alagona et al., Continuum solvent effects on various isomers of bilirubin, PHYS CHEM P, 2(21), 2000, pp. 4884-4890
Theoretical study of the stability of myrsinone in vacuo and in solution
Authors: Alagona, G Germano, G Ghio, C
Citation: G. Alagona et al., Theoretical study of the stability of myrsinone in vacuo and in solution, THEOR CH AC, 104(3-4), 2000, pp. 210-217
A theoretical study on reaction pathways to carbanions
Authors: Alagona, G Ghio, C Agresti, A
Citation: G. Alagona et al., A theoretical study on reaction pathways to carbanions, COMPUT CHEM, 24(3-4), 2000, pp. 311-324
Ab initio and density functional evaluations of the molecular conformations of beta-caryophyllene and 6-hydroxycaryophyllene
Authors: Clericuzio, M Alagona, G Ghio, C Toma, L
Citation: M. Clericuzio et al., Ab initio and density functional evaluations of the molecular conformations of beta-caryophyllene and 6-hydroxycaryophyllene, J ORG CHEM, 65(21), 2000, pp. 6910-6916
Theoretical investigation of histidine-tryptophan preferential interactions
Authors: Alagona, G Ghio, C Giolitti, A Monti, S
Citation: G. Alagona et al., Theoretical investigation of histidine-tryptophan preferential interactions, THEOR CH AC, 101(1-3), 1999, pp. 143-150
Basis set, level, and continuum solvation effects on the stability of a synthetic dipeptide: PIDOTIMOD
Authors: Alagona, G Ghio, C Villani, V
Citation: G. Alagona et al., Basis set, level, and continuum solvation effects on the stability of a synthetic dipeptide: PIDOTIMOD, J PHYS CH A, 103(29), 1999, pp. 5823-5832
Theoretical studies on the continuum solvation of some N,N '-dimethyl- andN-methyl,N '-acetyl-guanidine and guanidinium conformers
Authors: Alagona, G Ghio, C Nagy, PI Durant, GJ
Citation: G. Alagona et al., Theoretical studies on the continuum solvation of some N,N '-dimethyl- andN-methyl,N '-acetyl-guanidine and guanidinium conformers, J PHYS CH A, 103(12), 1999, pp. 1857-1867
Biophysics quarterly - Proceedings of the ISQBP President's Meeting: Molecular Structure and Dynamics in Biology - La Biodola, Elba (Italy), September 8-11, 1998 - Introduction
Authors: Osman, R Alagona, G Ghio, C
Citation: R. Osman et al., Biophysics quarterly - Proceedings of the ISQBP President's Meeting: Molecular Structure and Dynamics in Biology - La Biodola, Elba (Italy), September 8-11, 1998 - Introduction, INT J QUANT, 73(2), 1999, pp. 59-60
Ab initio study of preferential interactions between aromatic side chains
Authors: Alagona, G Ghio, C Monti, S
Citation: G. Alagona et al., Ab initio study of preferential interactions between aromatic side chains, INT J QUANT, 73(2), 1999, pp. 175-186
Theoretical studies on the conformation of protonated dopamine in the gas phase and in aqueous solution
Authors: Nagy, PI Alagona, G Ghio, C
Citation: Pi. Nagy et al., Theoretical studies on the conformation of protonated dopamine in the gas phase and in aqueous solution, J AM CHEM S, 121(20), 1999, pp. 4804-4815
Computer modelling of reaction pathways in enzyme fields
Authors: Alagona, G Ghio, C
Citation: G. Alagona et C. Ghio, Computer modelling of reaction pathways in enzyme fields, RRD PHYS CH, 2, 1998, pp. 1189-1203
Risultati: 1-14 |