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Results: 1-13 |
Results: 13
Transition state structures and intermediates modeling carboxylation reactions catalyzed by rubisco. a quantum chemical study of the role of magnesium and its coordination sphere
Authors: Oliva, M Safont, VS Andres, J Tapia, O
Citation: M. Oliva et al., Transition state structures and intermediates modeling carboxylation reactions catalyzed by rubisco. a quantum chemical study of the role of magnesium and its coordination sphere, J PHYS CH A, 105(40), 2001, pp. 9243-9251
Transition structures for D-ribulose-1,5-bisphosphate carboxylase/oxygenase-catalyzed oxygenation chemistry: Role of carbamylated lysine in a model magnesium coordination sphere
Authors: Oliva, M Safont, VS Andres, J Tapia, O
Citation: M. Oliva et al., Transition structures for D-ribulose-1,5-bisphosphate carboxylase/oxygenase-catalyzed oxygenation chemistry: Role of carbamylated lysine in a model magnesium coordination sphere, J PHYS CH A, 105(19), 2001, pp. 4726-4736
A combined experimental and theoretical study of the homogeneous, unimolecular decomposition kinetics of 3-chloropivalic acid in the gas phase
Authors: Chuchani, G Rotinov, A Andres, J Domingo, LR Safont, VS
Citation: G. Chuchani et al., A combined experimental and theoretical study of the homogeneous, unimolecular decomposition kinetics of 3-chloropivalic acid in the gas phase, J PHYS CH A, 105(10), 2001, pp. 1869-1875
Electronic mechanistic pattern for C-C bond-breaking from transition structures in Rubisco's chemistry
Authors: Oliva, M Safont, VS Andres, J Tapia, O
Citation: M. Oliva et al., Electronic mechanistic pattern for C-C bond-breaking from transition structures in Rubisco's chemistry, CHEM P LETT, 340(5-6), 2001, pp. 391-399
A quantum-chemical study of transition structures for enolization and oxygenation steps catalyzed by rubisco: on the role of magnesium and carbamylated Lys-201 in opening oxygen capture channel
Authors: Tapia, O Oliva, M Safont, VS Andres, J
Citation: O. Tapia et al., A quantum-chemical study of transition structures for enolization and oxygenation steps catalyzed by rubisco: on the role of magnesium and carbamylated Lys-201 in opening oxygen capture channel, CHEM P LETT, 323(1-2), 2000, pp. 29-34
Alternative pathways for the C2-C3 bond cleavage and C2 configuration inversion processes for the Rubisco-catalyzed carboxylation sequence
Authors: Safont, VS Oliva, M Andres, J Tapia, O
Citation: Vs. Safont et al., Alternative pathways for the C2-C3 bond cleavage and C2 configuration inversion processes for the Rubisco-catalyzed carboxylation sequence, CHEM P LETT, 318(4-5), 2000, pp. 361-369
Transition state structure invariance to model system size and calculationlevels: a QM/MM study of the carboxylation step catalyzed by Rubisco
Authors: Moliner, V Andres, J Oliva, M Safont, VS Tapia, O
Citation: V. Moliner et al., Transition state structure invariance to model system size and calculationlevels: a QM/MM study of the carboxylation step catalyzed by Rubisco, THEOR CH AC, 101(1-3), 1999, pp. 228-233
Transition-state structures for describing the enzyme-catalyzed mechanismsof rubisco
Authors: Andres, J Oliva, M Safont, VS Moliner, V Tapia, O
Citation: J. Andres et al., Transition-state structures for describing the enzyme-catalyzed mechanismsof rubisco, THEOR CH AC, 101(1-3), 1999, pp. 234-240
A theoretical study of the molecular mechanism for the carboxylation chemistry in Rubisco
Authors: Oliva, M Safont, VS Andres, J Tapia, O
Citation: M. Oliva et al., A theoretical study of the molecular mechanism for the carboxylation chemistry in Rubisco, J PHYS CH A, 103(43), 1999, pp. 8725-8732
Theoretical study of the molecular mechanism for the oxygenation chemistryin rubisco
Authors: Oliva, M Safont, VS Andres, J Tapia, O
Citation: M. Oliva et al., Theoretical study of the molecular mechanism for the oxygenation chemistryin rubisco, J PHYS CH A, 103(30), 1999, pp. 6009-6016
Theoretical study of the mechanisms for the alkoxyacetic acids decomposition
Authors: Domingo, LR Picher, MT Safont, VS Andres, J Chuchani, G
Citation: Lr. Domingo et al., Theoretical study of the mechanisms for the alkoxyacetic acids decomposition, J PHYS CH A, 103(20), 1999, pp. 3935-3943
Theoretical study of the molecular mechanism of the domino pathways for squarate ester sequential reactions
Authors: Oliva, M Domingo, LR Safont, VS Andres, J Castillo, R Moliner, V
Citation: M. Oliva et al., Theoretical study of the molecular mechanism of the domino pathways for squarate ester sequential reactions, J PHYS ORG, 12(1), 1999, pp. 61-68
A combined experimental and theoretical study of the unimolecular elimination kinetics of 2-alkoxypropionic acids in the gas phase
Authors: Rotinov, A Chuchani, G Andres, J Domingo, LR Safont, VS
Citation: A. Rotinov et al., A combined experimental and theoretical study of the unimolecular elimination kinetics of 2-alkoxypropionic acids in the gas phase, CHEM PHYS, 246(1-3), 1999, pp. 1-12
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