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Results: 1-25/28
Authors:
Treesukol, P
Limtrakul, J
Truong, TN
Citation: P. Treesukol et al., Adsorption of nitrogen monoxide and carbon monoxide on copper-exchanged ZSM-5: A cluster and embedded cluster study, J PHYS CH B, 105(12), 2001, pp. 2421-2428
Authors:
Montoya, A
Truong, TTT
Mondragon, F
Truong, TN
Citation: A. Montoya et al., CO desorption from oxygen species on carbonaceous surface: 1. Effects of the local structure of the active site and the surface coverage, J PHYS CH A, 105(27), 2001, pp. 6757-6764
Authors:
Zhang, SW
Truong, TN
Citation: Sw. Zhang et Tn. Truong, Branching ratio and pressure dependent rate constants of multichannel unimolecular decomposition of gas-phase alpha-HMX: An ab initio dynamics study, J PHYS CH A, 105(11), 2001, pp. 2427-2434
Authors:
Maity, DK
Truong, TN
Citation: Dk. Maity et Tn. Truong, Status of theoretical modeling of tautomerization in free-base porphyrin, J PORPHYR P, 5(3), 2001, pp. 289-299
Authors:
Violi, A
Sarofim, AF
Truong, TN
Citation: A. Violi et al., Quantum mechanical study of molecular weight growth process by combinationof aromatic molecules, COMB FLAME, 126(1-2), 2001, pp. 1506-1515
Authors:
Limtrakul, J
Nanok, T
Jungsuttiwong, S
Khongpracha, P
Truong, TN
Citation: J. Limtrakul et al., Adsorption of unsaturated hydrocarbons on zeolites: the effects of the zeolite framework on adsorption properties of ethylene, CHEM P LETT, 349(1-2), 2001, pp. 161-166
Authors:
Shapovalov, V
Truong, TN
Citation: V. Shapovalov et Tn. Truong, Ab initio study of water adsorption on alpha-Al2O3 (0001) crystal surface, J PHYS CH B, 104(42), 2000, pp. 9859-9863
Authors:
Vollmer, JM
Truong, TN
Citation: Jm. Vollmer et Tn. Truong, Mechanisms of hydrogen exchange of methane with H-zeolite Y: An ab initio embedded cluster study, J PHYS CH B, 104(26), 2000, pp. 6308-6312
Authors:
Limtrakul, J
Khongpracha, P
Jungsuttiwong, S
Truong, TN
Citation: J. Limtrakul et al., Adsorption of carbon monoxide in H-ZSM-5 and Li-ZSM-5 zeolites: an embedded ab initio cluster study, J MOL CAT A, 153(1-2), 2000, pp. 155-163
Authors:
Montoya, A
Truong, TN
Sarofim, AF
Citation: A. Montoya et al., Application of density functional theory to the study of the reaction of NO with char-bound nitrogen during combustion, J PHYS CH A, 104(36), 2000, pp. 8409-8417
Authors:
Zhang, SW
Truong, TN
Citation: Sw. Zhang et Tn. Truong, Thermal rate constants of the NO2 fission reaction of gas phase alpha-HMX:A direct ab initio dynamics study, J PHYS CH A, 104(31), 2000, pp. 7304-7307
Authors:
Montoya, A
Truong, TN
Sarofim, AF
Citation: A. Montoya et al., Spin contamination in Hartree-Fock and density functional theory wavefunctions in modeling of adsorption on graphite, J PHYS CH A, 104(26), 2000, pp. 6108-6110
Authors:
Kovalenko, A
Truong, TN
Citation: A. Kovalenko et Tn. Truong, Thermochemistry of solvation: A self-consistent three-dimensional reference interaction site model approach, J CHEM PHYS, 113(17), 2000, pp. 7458-7470
Authors:
Zhang, SW
Truong, TN
Citation: Sw. Zhang et Tn. Truong, Direct ab initio dynamics studies of N+H-2 <-> NH+H reaction, J CHEM PHYS, 113(15), 2000, pp. 6149-6153
Authors:
Truong, TN
Citation: Tn. Truong, Reaction class transition state theory: Hydrogen abstraction reactions by hydrogen atoms as test cases, J CHEM PHYS, 113(12), 2000, pp. 4957-4964
Authors:
Truong, TN
Maity, DK
Truong, TTT
Citation: Tn. Truong et al., A combined reaction class approach with integrated molecular orbital plus molecular orbital (IMOMO) methodology: A practical tool for kinetic modeling, J CHEM PHYS, 112(1), 2000, pp. 24-30
Authors:
Shapovalov, V
Truong, TN
Kovalenko, A
Hirata, F
Citation: V. Shapovalov et al., Liquid structure at metal oxide-water interface: accuracy of a three-dimensional RISM methodology, CHEM P LETT, 320(1-2), 2000, pp. 186-193
Authors:
Maity, DK
Bell, RL
Truong, TN
Citation: Dk. Maity et al., Mechanism and quantum mechanical tunneling effects on inner hydrogen atom transfer in free base porphyrin: A direct ab initio dynamics study, J AM CHEM S, 122(5), 2000, pp. 897-906
Authors:
Johnson, MA
Truong, TN
Citation: Ma. Johnson et Tn. Truong, Importance of polarization in simulations of condensed phase energetic materials, J PHYS CH B, 103(44), 1999, pp. 9392-9393
Authors:
Vollmer, JM
Stefanovich, EV
Truong, TN
Citation: Jm. Vollmer et al., Molecular modeling of interactions in zeolites: An ab initio embedded cluster study of NH3 adsorption in chabazite, J PHYS CH B, 103(44), 1999, pp. 9415-9422
Authors:
Johnson, MA
Stefanovich, EV
Truong, TN
Gunster, J
Goodman, DW
Citation: Ma. Johnson et al., Dissociation of water at the MgO(100)-water interface: Comparison of theory with experiment, J PHYS CH B, 103(17), 1999, pp. 3391-3398
Authors:
Truong, TN
Duncan, WT
Tirtowidjojo, M
Citation: Tn. Truong et al., A reaction class approach for modeling gas phase reaction rates, PCCP PHYS C, 1(6), 1999, pp. 1061-1065
Authors:
Johnson, MA
Truong, TN
Citation: Ma. Johnson et Tn. Truong, High-level ab initio and density functional theory evaluation of combustion reaction energetics: NO2 and HONO elimination from dimethylnitramine, J PHYS CH A, 103(44), 1999, pp. 8840-8846
Authors:
Maity, DK
Duncan, WT
Truong, TN
Citation: Dk. Maity et al., Direct ab initio dynamics studies of the hydrogen abstraction reactions ofhydrogen atom with fluoromethanes, J PHYS CH A, 103(13), 1999, pp. 2152-2159
Authors:
Truong, TN
Truong, TTT
Citation: Tn. Truong et Ttt. Truong, A reaction class approach with the integrated molecular orbital plus molecular orbital methodology, CHEM P LETT, 314(5-6), 1999, pp. 529-533