AAAAAA

   
Results: 1-18 |
Results: 18
Voltammetry of heterogeneous labile metal-macromolecular systems for any ligand-to-metal ratio - Part II. Obtaining the binding curve from the normalised limiting currents
Authors: Puy, J Torrent, M Galceran, J Cecilia, J Salvador, J Monne, J Companys, E Garces, JL Mas, F
Citation: J. Puy et al., Voltammetry of heterogeneous labile metal-macromolecular systems for any ligand-to-metal ratio - Part II. Obtaining the binding curve from the normalised limiting currents, J ELEC CHEM, 514(1-2), 2001, pp. 83-93
A density functional study of possible intermediates of the reaction of dioxygen molecule with non-heme iron complexes. 1. N-side versus O-side mechanism with water-free model
Authors: Torrent, M Mogi, K Basch, H Musaev, DG Morokuma, K
Citation: M. Torrent et al., A density functional study of possible intermediates of the reaction of dioxygen molecule with non-heme iron complexes. 1. N-side versus O-side mechanism with water-free model, J PHYS CH B, 105(36), 2001, pp. 8616-8628
Quantum chemical study on oxygen-17 and nitrogen-14 quadrupole coupling parameters of peptide bonds in alpha-helix and beta-sheet proteins (vol 105, pg 4546, 2001)
Authors: Torrent, M Mansour, D Day, EP Morokuma, K
Citation: M. Torrent et al., Quantum chemical study on oxygen-17 and nitrogen-14 quadrupole coupling parameters of peptide bonds in alpha-helix and beta-sheet proteins (vol 105, pg 4546, 2001), J PHYS CH B, 105(33), 2001, pp. 8064-8064
A density functional study of possible intermediates of the reaction of dioxygen molecule with nonheme iron complexes. 2. "Water-assisted" model studies
Authors: Torrent, M Musaev, DG Morokuma, K Basch, H
Citation: M. Torrent et al., A density functional study of possible intermediates of the reaction of dioxygen molecule with nonheme iron complexes. 2. "Water-assisted" model studies, J PHYS CH B, 105(19), 2001, pp. 4453-4463
The flexibility of carboxylate ligands in methane monooxygenase and ribonucleotide reductase: A density functional study
Authors: Torrent, M Musaev, DG Morokuma, K
Citation: M. Torrent et al., The flexibility of carboxylate ligands in methane monooxygenase and ribonucleotide reductase: A density functional study, J PHYS CH B, 105(1), 2001, pp. 322-327
Quantum chemical study on oxygen-17 and nitrogen-14 nuclear quadrupole coupling parameters of peptide bonds in alpha-helix and beta-sheet proteins
Authors: Torrent, M Mansour, D Day, EP Morokuma, K
Citation: M. Torrent et al., Quantum chemical study on oxygen-17 and nitrogen-14 nuclear quadrupole coupling parameters of peptide bonds in alpha-helix and beta-sheet proteins, J PHYS CH A, 105(18), 2001, pp. 4546-4557
Maternal atopy and parity
Authors: Sunyer, J Anto, JM Harris, J Torrent, M Vall, O Cullinan, P Newman-Taylor, A
Citation: J. Sunyer et al., Maternal atopy and parity, CLIN EXP AL, 31(9), 2001, pp. 1352-1355
Frequency of multiple sclerosis in Menorca, Balearic Islands, Spain
Authors: Casquero, P Villoslada, P Montalban, X Torrent, M
Citation: P. Casquero et al., Frequency of multiple sclerosis in Menorca, Balearic Islands, Spain, NEUROEPIDEM, 20(2), 2001, pp. 129-133
Model studies of the structures, reactivities, and reaction mechanisms of metalloenzymes
Authors: Morokuma, K Musaev, DG Vreven, T Basch, H Torrent, M Khoroshun, DV
Citation: K. Morokuma et al., Model studies of the structures, reactivities, and reaction mechanisms of metalloenzymes, IBM J RES, 45(3-4), 2001, pp. 367-395
Theoretical study of the mechanism of oxidative addition of allyl-ammoniumand -iminium salts to low-valent metal complexes. Rationalization of selective C-N and N-H bond activation
Authors: Torrent, M Musaev, DG Morokuma, K
Citation: M. Torrent et al., Theoretical study of the mechanism of oxidative addition of allyl-ammoniumand -iminium salts to low-valent metal complexes. Rationalization of selective C-N and N-H bond activation, ORGANOMETAL, 19(21), 2000, pp. 4402-4415
Enhancements to the GW space-time method
Authors: Steinbeck, L Rubio, A Reining, L Torrent, M White, ID Godby, RW
Citation: L. Steinbeck et al., Enhancements to the GW space-time method, COMP PHYS C, 125(1-3), 2000, pp. 105-118
Theoretical studies of some transition-metal-mediated reactions of industrial and synthetic importance
Authors: Torrent, M Sola, M Frenking, G
Citation: M. Torrent et al., Theoretical studies of some transition-metal-mediated reactions of industrial and synthetic importance, CHEM REV, 100(2), 2000, pp. 439-493
Voltammetric currents for any ligand-to-metal concentration ratio in fullylabile metal-macromolecular complexation. Easy computations, analytical properties of the currents and a graphical method to estimate the stability constant
Authors: Galceran, J Cecilia, J Salvador, J Monne, J Torrent, M Companys, E Puy, J Garces, JL Mas, F
Citation: J. Galceran et al., Voltammetric currents for any ligand-to-metal concentration ratio in fullylabile metal-macromolecular complexation. Easy computations, analytical properties of the currents and a graphical method to estimate the stability constant, J ELEC CHEM, 472(1), 1999, pp. 42-52
Calculation of nuclear quadrupole parameters in imidazole derivatives and extrapolation to coenzyme B-12. A theoretical study
Authors: Torrent, M Musaev, DG Morokuma, K Ke, SC Warncke, K
Citation: M. Torrent et al., Calculation of nuclear quadrupole parameters in imidazole derivatives and extrapolation to coenzyme B-12. A theoretical study, J PHYS CH B, 103(40), 1999, pp. 8618-8627
Theoretical study of gas-phase reactions of Fe(CO)(5) with OH- and their relevance for the water gas shift reaction
Authors: Torrent, M Sola, M Frenking, G
Citation: M. Torrent et al., Theoretical study of gas-phase reactions of Fe(CO)(5) with OH- and their relevance for the water gas shift reaction, ORGANOMETAL, 18(15), 1999, pp. 2801-2812
Mechanisms for the formation of epoxide and chlorine-containing products in the oxidation of ethylene by chromyl chloride: a density functional study
Authors: Torrent, M Deng, LQ Duran, M Sola, M Ziegler, T
Citation: M. Torrent et al., Mechanisms for the formation of epoxide and chlorine-containing products in the oxidation of ethylene by chromyl chloride: a density functional study, CAN J CHEM, 77(9), 1999, pp. 1476-1491
Identification of dimethylbenzimidazole axial coordination and characterization of N-14 superhyperfine and nuclear quadrupole coupling in Cob(II)alamin bound to ethanolamine deaminase in a catalytically-engaged substrate radical-cobalt(II) biradical state
Authors: Ke, SC Torrent, M Museav, DG Morokuma, K Warncke, K
Citation: Sc. Ke et al., Identification of dimethylbenzimidazole axial coordination and characterization of N-14 superhyperfine and nuclear quadrupole coupling in Cob(II)alamin bound to ethanolamine deaminase in a catalytically-engaged substrate radical-cobalt(II) biradical state, BIOCHEM, 38(39), 1999, pp. 12681-12689
Weighing different mechanistic proposals for the Dotz reaction: A density functional study
Authors: Torrent, M Duran, M Sola, M
Citation: M. Torrent et al., Weighing different mechanistic proposals for the Dotz reaction: A density functional study, J AM CHEM S, 121(6), 1999, pp. 1309-1316
Risultati: 1-18 |