ACNP - Italian Periodicals Catalogue

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Results: 1-12 |

Results: 12

Structure, solvation, and bonding in pentacyano(L)ferrate(II) ions (L=aliphatic amine): a density functional study

Authors: Gonzalez-Lebrero, MC Turjanski, AG Olabe, JA Estrin, DA

Citation: Mc. Gonzalez-lebrero et al., Structure, solvation, and bonding in pentacyano(L)ferrate(II) ions (L=aliphatic amine): a density functional study, J MOL MODEL, 7(7), 2001, pp. 201-206

Nitrosation of melatonin by nitric oxide: a computational study

Authors: Turjanski, AG Saenz, DA Doctorovich, F Estrin, DA Rosenstein, RE

Citation: Ag. Turjanski et al., Nitrosation of melatonin by nitric oxide: a computational study, J PINEAL R, 31(2), 2001, pp. 97-101

Theoretical investigation on the electronic structure of pentacyano(L)ferrate(II) complexes with NO+, NO, and NO- ligands. Redox interconversion, protonation, and cyanide-releasing reactions

Authors: Lebrero, MCG Scherlis, DA Estiu, GL Olabe, JA Estrin, DA

Citation: Mcg. Lebrero et al., Theoretical investigation on the electronic structure of pentacyano(L)ferrate(II) complexes with NO+, NO, and NO- ligands. Redox interconversion, protonation, and cyanide-releasing reactions, INORG CHEM, 40(17), 2001, pp. 4127-4133

Hydrogen bonding and O-2 affinity of hemoglobins

Authors: Scherlis, DA Estrin, DA

Citation: Da. Scherlis et Da. Estrin, Hydrogen bonding and O-2 affinity of hemoglobins, J AM CHEM S, 123(34), 2001, pp. 8436-8437

Stabilization of aliphatic and aromatic diazonium ions by coordination: Anexperimental and theoretical study

Authors: Doctorovich, F Escola, N Trapani, C Estrin, DA Lebrero, MCG Turjanski, AG

Citation: F. Doctorovich et al., Stabilization of aliphatic and aromatic diazonium ions by coordination: Anexperimental and theoretical study, ORGANOMETAL, 19(19), 2000, pp. 3810-3817

Concertedness and solvent effects in multiple proton transfer reactions: The formic acid dimer in solution

Authors: Kohanoff, J Koval, S Estrin, DA Laria, D Abashkin, Y

Citation: J. Kohanoff et al., Concertedness and solvent effects in multiple proton transfer reactions: The formic acid dimer in solution, J CHEM PHYS, 112(21), 2000, pp. 9498-9508

Nitric oxide binding to ferric cytochrome P450: A computational study

Authors: Scherlis, DA Cymeryng, CB Estrin, DA

Citation: Da. Scherlis et al., Nitric oxide binding to ferric cytochrome P450: A computational study, INORG CHEM, 39(11), 2000, pp. 2352-2359

Computer simulation study of HNO3 dissociation in aqueous clusters

Authors: Elola, MD Marceca, EJ Laria, D Estrin, DA

Citation: Md. Elola et al., Computer simulation study of HNO3 dissociation in aqueous clusters, CHEM P LETT, 326(5-6), 2000, pp. 509-514

Scavenging of NO by melatonin

Authors: Turjanski, AG Leonik, F Estrin, DA Rosenstein, RE Doctorvich, F

Citation: Ag. Turjanski et al., Scavenging of NO by melatonin, J AM CHEM S, 122(42), 2000, pp. 10468-10469

Solvation and conformational properties of melatonin: a computational study

Authors: Turjanski, AG Rosenstein, RE Estrin, DA

Citation: Ag. Turjanski et al., Solvation and conformational properties of melatonin: a computational study, J MOL MODEL, 5(11), 1999, pp. 271-280

Hybrid quantum classical molecular dynamics simulation of the proton-transfer reaction of HO- with HBr in aqueous clusters

Authors: Elola, MD Estrin, DA Laria, D

Citation: Md. Elola et al., Hybrid quantum classical molecular dynamics simulation of the proton-transfer reaction of HO- with HBr in aqueous clusters, J PHYS CH A, 103(26), 1999, pp. 5105-5112

Isomerization, melting, and polarity of model water clusters: (H2O)(6) and(H2O)(8)

Authors: Rodriguez, J Laria, D Marceca, EJ Estrin, DA

Citation: J. Rodriguez et al., Isomerization, melting, and polarity of model water clusters: (H2O)(6) and(H2O)(8), J CHEM PHYS, 110(18), 1999, pp. 9039-9047

Risultati: 1-12 |