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Results: 1-14 |
Results: 14
Theoretical studies of nonenzymatic reaction pathways for the three reaction stages of the carboxylation of ribulose-1,5-bisphosphate
Authors: Zhan, CG Niu, SQ Ornstein, RL
Citation: Cg. Zhan et al., Theoretical studies of nonenzymatic reaction pathways for the three reaction stages of the carboxylation of ribulose-1,5-bisphosphate, J CHEM S P2, (1), 2001, pp. 23-29
Theoretical studies of competing reaction pathways and energy barriers foralkaline ester hydrolysis of cocaine
Authors: Zhan, CG Landry, DW
Citation: Cg. Zhan et Dw. Landry, Theoretical studies of competing reaction pathways and energy barriers foralkaline ester hydrolysis of cocaine, J PHYS CH A, 105(8), 2001, pp. 1296-1301
Mobility of the active site bound paraoxon and sarin in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation
Authors: Koca, J Zhan, CG Rittenhouse, RC Ornstein, RL
Citation: J. Koca et al., Mobility of the active site bound paraoxon and sarin in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation, J AM CHEM S, 123(5), 2001, pp. 817-826
First computational evidence for a catalytic bridging hydroxide ion in a phosphodiesterase active site
Authors: Zhan, CG Zheng, F
Citation: Cg. Zhan et F. Zheng, First computational evidence for a catalytic bridging hydroxide ion in a phosphodiesterase active site, J AM CHEM S, 123(12), 2001, pp. 2835-2838
Energy barriers for alkaline hydrolysis of carboxylic acid esters in aqueous solution by reaction field calculations
Authors: Zhan, CG Landry, DW Ornstein, RL
Citation: Cg. Zhan et al., Energy barriers for alkaline hydrolysis of carboxylic acid esters in aqueous solution by reaction field calculations, J PHYS CH A, 104(32), 2000, pp. 7672-7678
Generalized correlation of P=O and P=S bond stretching vibrational frequencies with electronic structure in organophosphorus compounds
Authors: Wan, J Zhan, CG
Citation: J. Wan et Cg. Zhan, Generalized correlation of P=O and P=S bond stretching vibrational frequencies with electronic structure in organophosphorus compounds, PHOSPHOR SU, 157, 2000, pp. 67-85
Maximum bond order hybrid orbital calculations of C=O bond stretching vibrational frequencies
Authors: Zhan, CG Wang, QL Xiong, Y Chen, X
Citation: Cg. Zhan et al., Maximum bond order hybrid orbital calculations of C=O bond stretching vibrational frequencies, J MOL ST-TH, 531, 2000, pp. 33-37
Theoretical studies of fundamental pathways for alkaline hydrolysis of carboxylic acid esters in gas phase
Authors: Zhan, CG Landry, DW Ornstein, RL
Citation: Cg. Zhan et al., Theoretical studies of fundamental pathways for alkaline hydrolysis of carboxylic acid esters in gas phase, J AM CHEM S, 122(7), 2000, pp. 1522-1530
Reaction pathways and energy barriers for alkaline hydrolysis of carboxylic acid esters in water studied by a hybrid supermolecule-polarizable continuum approach
Authors: Zhan, CG Landry, DW Ornstein, RL
Citation: Cg. Zhan et al., Reaction pathways and energy barriers for alkaline hydrolysis of carboxylic acid esters in water studied by a hybrid supermolecule-polarizable continuum approach, J AM CHEM S, 122(11), 2000, pp. 2621-2627
Maximum bond order hybrid orbital calculations of the S=O stretching frequencies for sulphuryl and thionyl compounds
Authors: Xiong, Y Zhan, CG
Citation: Y. Xiong et Cg. Zhan, Maximum bond order hybrid orbital calculations of the S=O stretching frequencies for sulphuryl and thionyl compounds, PHOSPHOR SU, 149, 1999, pp. 65-73
Theoretical prediction of P-31 NMR chemical shifts of intermediates in phosphoryl ester exchange and N -> O migration reactions of dialkyloxyphosphoryl amino acid
Authors: Zhan, CG
Citation: Cg. Zhan, Theoretical prediction of P-31 NMR chemical shifts of intermediates in phosphoryl ester exchange and N -> O migration reactions of dialkyloxyphosphoryl amino acid, PHOSPHOR SU, 146, 1999, pp. 655-658
Reaction field effects on nitrogen shielding
Authors: Zhan, CG Chipman, DM
Citation: Cg. Zhan et Dm. Chipman, Reaction field effects on nitrogen shielding, J CHEM PHYS, 110(3), 1999, pp. 1611-1622
Determination of two structural forms of catalytic bridging ligand in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation
Authors: Zhan, CG de Souza, ON Rittenhouse, R Ornstein, RL
Citation: Cg. Zhan et al., Determination of two structural forms of catalytic bridging ligand in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation, J AM CHEM S, 121(32), 1999, pp. 7279-7282
Cavity size in reaction field theory
Authors: Zhan, CG Chipman, DM
Citation: Cg. Zhan et Dm. Chipman, Cavity size in reaction field theory, J CHEM PHYS, 109(24), 1998, pp. 10543-10558
Risultati: 1-14 |