| Year |
Citation |
Score |
| 2019 |
Nguyen HT, Truong TN. Nature of interlayer carbon–carbon covalent bonding in graphene-based materials Theoretical Chemistry Accounts. 138. DOI: 10.1007/S00214-019-2458-6 |
0.306 |
|
| 2018 |
Mai TV, Ratkiewicz A, Le A, Duong MV, Truong TN, Huynh LK. On-the-fly kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by methyl/ethyl radicals. Physical Chemistry Chemical Physics : Pccp. PMID 30188552 DOI: 10.1039/C8Cp03718C |
0.7 |
|
| 2017 |
Ly UQ, Pham MP, Marks MJ, Truong TN. Density functional theory study of mechanism of epoxy-carboxylic acid curing reaction. Journal of Computational Chemistry. 38: 1093-1102. PMID 28409848 DOI: 10.1002/Jcc.24779 |
0.67 |
|
| 2017 |
Nguyen HT, Doan DN, Truong T. Unprecedented salt-promoted direct arylation of acidic sp2 CH bonds under heterogeneous Ni-MOF-74 catalysis: Synthesis of bioactive azole derivatives Journal of Molecular Catalysis a: Chemical. 426: 141-149. DOI: 10.1016/J.Molcata.2016.11.009 |
0.328 |
|
| 2017 |
Nguyen HT, Huynh LK, Truong TN. Migration and desorption of hydrogen atom and molecule on/from graphene Carbon. 121: 248-256. DOI: 10.1016/J.Carbon.2017.05.069 |
0.629 |
|
| 2016 |
Truong TN, Huynh LK, Ratkiewicz A. Performance of First-Principles based Reaction Class Transition State Theory. The Journal of Physical Chemistry. B. PMID 26752508 DOI: 10.1021/Acs.Jpcb.5B09564 |
0.661 |
|
| 2016 |
Lam HNK, Nguyen NB, Dang GH, Truong T, Phan NTS. Three-Component Coupling of Aldehyde, Alkyne, and Amine via C–H Bond Activation Using Indium-Based Metal–Organic Framework Mil-68(In) as a Recyclable Heterogeneous Catalyst Catalysis Letters. 146: 2087-2097. DOI: 10.1007/S10562-016-1805-7 |
0.31 |
|
| 2015 |
Le HTN, Tran TV, Phan NTS, Truong T. Efficient and recyclable Cu2(BDC)2(BPY)-catalyzed oxidative amidation of terminal alkynes: Role of bipyridine ligand Catalysis Science and Technology. 5: 851-859. DOI: 10.1039/C4Cy01074D |
0.329 |
|
| 2014 |
Pham MP, Pham BQ, Huynh LK, Pham HQ, Marks MJ, Truong TN. Density functional theory study on mechanisms of epoxy-phenol curing reaction. Journal of Computational Chemistry. 35: 1630-40. PMID 24935159 DOI: 10.1002/Jcc.23658 |
0.772 |
|
| 2014 |
Nguyen AT, Pham LT, Phan NTS, Truong T. Efficient and robust superparamagnetic copper ferrite nanoparticle-catalyzed sequential methylation and C-H activation: Aldehyde-free propargylamine synthesis Catalysis Science and Technology. 4: 4281-4288. DOI: 10.1039/C4Cy00753K |
0.328 |
|
| 2014 |
Truong T, Nguyen CK, Tran TV, Nguyen TT, Phan NTS. Nickel-catalyzed oxidative coupling of alkynes and arylboronic acids using the metal-organic framework Ni2(BDC)2(DABCO) as an efficient heterogeneous catalyst Catalysis Science and Technology. 4: 1276-1285. DOI: 10.1039/C3Cy01053H |
0.31 |
|
| 2014 |
Phan NTS, Nguyen CK, Nguyen TT, Truong T. Towards applications of metal-organic frameworks in catalysis: C-H direct activation of benzoxazole with aryl boronic acids using Ni2(BDC) 2(DABCO) as an efficient heterogeneous catalyst Catalysis Science and Technology. 4: 369-377. DOI: 10.1039/C3Cy00503H |
0.306 |
|
| 2014 |
Nguyen AT, Nguyen LTM, Nguyen CK, Truong T, Phan NTS. Superparamagnetic copper ferrite nanoparticles as an efficient heterogeneous catalyst for the α-arylation of 1,3-diketones with C-C cleavage Chemcatchem. 6: 815-823. DOI: 10.1002/Cctc.201300708 |
0.304 |
|
| 2013 |
Tran DT, Le LT, Truong TN. Discover binding pathways using the sliding binding-box docking approach: application to binding pathways of oseltamivir to avian influenza H5N1 neuraminidase. Journal of Computer-Aided Molecular Design. 27: 689-95. PMID 23979194 DOI: 10.1007/S10822-013-9675-1 |
0.511 |
|
| 2013 |
Ratkiewicz A, Huynh LK, Pham QB, Truong TN. Kinetics of the hydrogen abstraction •C2H5 + alkane → C2H6 + alkyl reaction class: An application of the reaction class transition state theory Theoretical Chemistry Accounts. 132: 1-17. DOI: 10.1007/S00214-013-1344-X |
0.675 |
|
| 2012 |
Ratkiewicz A, Truong TN. Kinetics of the C-C bond beta scission reactions in alkyl radical reaction class. The Journal of Physical Chemistry. A. 116: 6643-54. PMID 22612265 DOI: 10.1021/jp3018265 |
0.349 |
|
| 2011 |
Murumkar PR, Le L, Truong TN, Yadav MR. Determination of structural requirements of influenza neuraminidase type A inhibitors and binding interaction analysis with the active site of A/H1N1 by 3D-QSAR CoMFA and CoMSIA modeling Medchemcomm. 2: 710-719. DOI: 10.1039/C1Md00050K |
0.479 |
|
| 2010 |
Le L, Lee EH, Hardy DJ, Truong TN, Schulten K. Molecular dynamics simulations suggest that electrostatic funnel directs binding of Tamiflu to influenza N1 neuraminidases. Plos Computational Biology. 6. PMID 20885781 DOI: 10.1371/Journal.Pcbi.1000939 |
0.495 |
|
| 2010 |
Ratkiewicz A, Bankiewicz B, Truong TN. Kinetics of thermoneutral intermolecular hydrogen migration in alkyl radicals. Physical Chemistry Chemical Physics : Pccp. 12: 10988-95. PMID 20664879 DOI: 10.1039/c0cp00293c |
0.381 |
|
| 2010 |
Freedman H, Huynh LP, Le L, Cheatham TE, Tuszynski JA, Truong TN. Explicitly solvated ligand contribution to continuum solvation models for binding free energies: selectivity of theophylline binding to an RNA aptamer. The Journal of Physical Chemistry. B. 114: 2227-37. PMID 20099932 DOI: 10.1021/Jp9059664 |
0.482 |
|
| 2010 |
Nguyen HT, Truong TN. A virtual screening approach for electronic properties of conjugated organic materials using semi-empirical molecular orbital theory Chemical Physics Letters. 499: 263-267. DOI: 10.1016/J.Cplett.2010.09.049 |
0.314 |
|
| 2010 |
Ratkiewicz A, Truong TN. Kinetics of the hydrogen abstraction R-OH + H → R-O• + H 2 reaction class International Journal of Chemical Kinetics. 42: 414-429. DOI: 10.1002/Kin.20491 |
0.441 |
|
| 2009 |
Nguyen H, Le L, Truong TN. Top-hits for H1N1pdm Identified by Virtual Screening Using Ensemble-based Docking. Plos Currents. 3: RRN1030. PMID 20029612 DOI: 10.1371/Currents.Rrn1030 |
0.452 |
|
| 2009 |
Le L, Lee E, Schulten K, Truong TN. Molecular modeling of swine influenza A/H1N1, Spanish H1N1, and avian H5N1 flu N1 neuraminidases bound to Tamiflu and Relenza. Plos Currents. 1: RRN1015. PMID 20029609 DOI: 10.1371/Currents.Rrn1015 |
0.446 |
|
| 2009 |
Muszy?ska M, Ratkiewicz A, Huynh LK, Truong TN. Kinetics of the hydrogen abstraction C2H3* + alkane --> C2H4 + alkyl radical reaction class. The Journal of Physical Chemistry. A. 113: 8327-36. PMID 19569659 DOI: 10.1021/Jp903762X |
0.703 |
|
| 2009 |
Huynh LK, Zhang HR, Zhang S, Eddings E, Sarofim A, Law ME, Westmoreland PR, Truong TN. Kinetics of enol formation from reaction of OH with propene. The Journal of Physical Chemistry. A. 113: 3177-85. PMID 19271758 DOI: 10.1021/Jp808050J |
0.673 |
|
| 2009 |
Bankiewicz B, Huynh LK, Ratkiewicz A, Truong TN. Kinetics of 1,4-hydrogen migration in the alkyl radical reaction class. The Journal of Physical Chemistry. A. 113: 1564-73. PMID 19193045 DOI: 10.1021/Jp808874J |
0.709 |
|
| 2009 |
Su Y, Wang Y, Chen G, Truong TN. Slide and rolling mechanisms of Pt clusters out of oxygen vacancy region on MgO(100) surface Journal of Theoretical and Computational Chemistry. 8: 1155-1169. DOI: 10.1142/S0219633609005428 |
0.319 |
|
| 2009 |
Nguyen HG, Konya G, Eyring EM, Hunter DB, Truong TN. Theoretical study on the interaction between xenon and positively charged silver clusters in gas phase and on the (001) chabazite surface Journal of Physical Chemistry C. 113: 12818-12825. DOI: 10.1021/Jp902798W |
0.493 |
|
| 2009 |
Huynh LK, Tirtowidjojo M, Truong TN. Theoretical study on kinetics of the H2CO + O2 → HCO + HO2 reaction Chemical Physics Letters. 469: 81-84. DOI: 10.1016/J.Cplett.2008.12.050 |
0.625 |
|
| 2009 |
Espinal JF, Mondragón F, Truong TN. Thermodynamic evaluation of steam gasification mechanisms of carbonaceous materials Carbon. 47: 3010-3018. DOI: 10.1016/J.Carbon.2009.06.048 |
0.395 |
|
| 2009 |
Pham MP, Marks MJ, Pham H, Truong TN. Theoretical study on mechanisms of epoxy - Phenol curing reaction Acs National Meeting Book of Abstracts. |
0.607 |
|
| 2008 |
Orrego JF, Truong TN, Mondragón F. A linear energy relationship between activation energy and absolute hardness: a case study with the O(3P) atom-addition reactions to polyaromatic hydrocarbons. The Journal of Physical Chemistry. A. 112: 8205-7. PMID 18710196 DOI: 10.1021/Jp805012F |
0.4 |
|
| 2008 |
Freedman H, Le L, Tuszynski JA, Truong TN. Improving the performance of the coupled reference interaction site model-hyper-netted chain (RISM-HNC)/simulation method for free energy of solvation. The Journal of Physical Chemistry. B. 112: 2340-8. PMID 18251537 DOI: 10.1021/Jp077179L |
0.576 |
|
| 2008 |
Wang Y, Truong TN. Cluster formation model in vapor deposition of Pd atoms on the perfect MgO(100) surface and on its surface oxygen vacancy Journal of Physical Chemistry C. 112: 13674-13680. DOI: 10.1021/Jp804082D |
0.366 |
|
| 2008 |
Huynh LK, Zhang S, Truong TN. Kinetics of hydrogen abstraction O(3P) + alkane → OH + alkyl reaction class: An application of the reaction class transition state theory Combustion and Flame. 152: 177-185. DOI: 10.1016/J.Combustflame.2007.08.006 |
0.708 |
|
| 2008 |
Huynh LK, Truong TN. Kinetics of the hydrogen abstraction CHO + Alkane → HCHO + Alkyl reaction class: An application of the reaction class transition state theory Theoretical Chemistry Accounts. 120: 107-118. DOI: 10.1007/s00214-007-0311-9 |
0.654 |
|
| 2007 |
Huynh LK, Panasewicz S, Ratkiewicz A, Truong TN. Ab initio study on the kinetics of hydrogen abstraction for the H+alkene-->H2+alkenyl reaction class. The Journal of Physical Chemistry. A. 111: 2156-65. PMID 17388295 DOI: 10.1021/Jp066659U |
0.71 |
|
| 2007 |
Ehlers JE, Rondan NG, Huynh LK, Pham H, Marks M, Truong TN. Theoretical study on mechanisms of the epoxy-amine curing reaction Macromolecules. 40: 4370-4377. DOI: 10.1021/Ma070423M |
0.685 |
|
| 2007 |
Florez E, Mondragón F, Truong TN, Fuentealba P. Density functional theory characterization of the formation of copper clusters on Fs and Fs + centers on a MgO surface Surface Science. 601: 656-664. DOI: 10.1016/J.Susc.2006.10.040 |
0.311 |
|
| 2007 |
Espinal JF, Truong TN, Mondragón F. Mechanisms of NH3 formation during the reaction of H2 with nitrogen containing carbonaceous materials Carbon. 45: 2273-2279. DOI: 10.1016/J.Carbon.2007.06.011 |
0.455 |
|
| 2007 |
Zhang HR, Pham MP, Huynh LK, Truong TN, Eddings EG, Sarofim AF. Kinetics of ring closure reactions and its role in polymerization of aromatics 5th Us Combustion Meeting 2007. 2: 1122-1127. |
0.72 |
|
| 2006 |
Wang Y, Nguyen HN, Truong TN. Mechanisms of and effect of coadsorption on water dissociation on an oxygen vacancy of the MgO(100) surface. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 5859-67. PMID 16729339 DOI: 10.1002/Chem.200600027 |
0.402 |
|
| 2006 |
Huynh LK, Ratkiewicz A, Truong TN. Kinetics of the hydrogen abstraction OH + alkane --> H2O + alkyl reaction class: an application of the reaction class transition state theory. The Journal of Physical Chemistry. A. 110: 473-84. PMID 16405319 DOI: 10.1021/Jp051280D |
0.702 |
|
| 2006 |
Florez E, Mondragón F, Truong TN, Fuentealba P. Transition-metal atom adsorption on an Fs defect site of MgO (100) and the interaction with a hydrogen atom Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.115423 |
0.302 |
|
| 2006 |
Wang Y, Florez E, Mondragon F, Truong TN. Effects of metal-support interactions on the electronic structures of metal atoms adsorbed on the perfect and defective MgO(1 0 0) surfaces Surface Science. 600: 1703-1713. DOI: 10.1016/J.Susc.2005.12.062 |
0.371 |
|
| 2006 |
Ratkiewicz A, Truong TN. Automated mechanism generation: From symbolic calculation to complex chemistry International Journal of Quantum Chemistry. 106: 244-255. DOI: 10.1002/Qua.20748 |
0.343 |
|
| 2006 |
Zhang HR, Pham MP, Truong TN, Eddings EG, Sarofim AF. Polymerization reactions of aromatics in a fuel-rich 20-torr naphthalene premixed flame enhanced by ring closure steps Acs National Meeting Book of Abstracts. 232. |
0.564 |
|
| 2006 |
Zhang HR, Huynh L, Kungwan N, Zhang S, Yang Z, Truong TN, Eddings EG, Sarofim AF. Reactions and kinetics of benzene and enol formation in a stoichiometric cyclohexane flame Acs National Meeting Book of Abstracts. 231. |
0.724 |
|
| 2005 |
Jungsuttiwong S, Limtrakul J, Truong TN. Theoretical study of modes of adsorption of water dimer on H-ZSM-5 and H-Faujasite zeolites. The Journal of Physical Chemistry. B. 109: 13342-51. PMID 16852665 DOI: 10.1021/Jp045021K |
0.328 |
|
| 2005 |
Sirijaraensre J, Truong TN, Limtrakul J. Density functional study of the mechanism of the Beckmann rearrangement catalyzed by H-ZSM-5: a cluster and embedded cluster study. The Journal of Physical Chemistry. B. 109: 12099-106. PMID 16852493 DOI: 10.1021/Jp045135W |
0.372 |
|
| 2005 |
Treesukol P, Srisuk K, Limtrakul J, Truong TN. Nature of the metal-support interaction in bifunctional catalytic Pt/H-ZSM-5 zeolite. The Journal of Physical Chemistry. B. 109: 11940-5. PMID 16852471 DOI: 10.1021/Jp0511348 |
0.75 |
|
| 2005 |
Freedman H, Truong TN. A coupled reference interaction site model/molecular dynamics study of the potential of mean force curve of the SN2 Cl- + CH3Cl reaction in water. The Journal of Physical Chemistry. B. 109: 4726-30. PMID 16851554 DOI: 10.1021/Jp044944C |
0.414 |
|
| 2005 |
Kungwan N, Truong TN. Kinetics of the hydrogen abstraction *CH3 + alkane --> CH4 + alkyl reaction class: an application of the reaction class transition state theory. The Journal of Physical Chemistry. A. 109: 7742-50. PMID 16834150 DOI: 10.1021/jp051799+ |
0.602 |
|
| 2005 |
Pratt LM, Lê LT, Truong TN. A computational study of mixed aggregates of chloromethyllithium with lithium dialkylamides. The Journal of Organic Chemistry. 70: 8298-302. PMID 16209570 DOI: 10.1021/jo051031l |
0.469 |
|
| 2005 |
Borges CR, Taccogno J, Crouch DJ, Le L, Truong TN. Structure and mechanism of formation of an important ion in doping control International Journal of Mass Spectrometry. 247: 48-54. DOI: 10.1016/J.Ijms.2005.08.013 |
0.488 |
|
| 2005 |
Espinal JF, Mondragón F, Truong TN. Mechanisms for methane and ethane formation in the reaction of hydrogen with carbonaceous materials Carbon. 43: 1820-1827. DOI: 10.1016/J.Carbon.2005.02.010 |
0.486 |
|
| 2004 |
Freedman H, Truong TN. An application of coupled reference interaction site model/molecular dynamics to the conformational analysis of the alanine dipeptide. The Journal of Chemical Physics. 121: 12447-56. PMID 15606265 DOI: 10.1063/1.1818046 |
0.328 |
|
| 2004 |
Freedman H, Truong TN. Coupled reference interaction site model/simulation approach for thermochemistry of solvation: theory and prospects. The Journal of Chemical Physics. 121: 2187-98. PMID 15260773 DOI: 10.1063/1.1760741 |
0.33 |
|
| 2004 |
Freedman H, Nguyen HN, Truong TN. A study of the tautomeric equilibria of 2-hydroxypyridine/2-oxopyridine and of cytosine in water using the coupled reference interaction site model(RISM)/molecular dynamics (MD) approach Journal of Physical Chemistry B. 108: 19043-19048. DOI: 10.1021/Jp046453Y |
0.334 |
|
| 2004 |
Wang V, Truong TN. Theoretical Study of Adsorption of Water Dimer on the Perfect MgO(100) Surface: Molecular Adsorption Versus Dissociative Chemisorption Journal of Physical Chemistry B. 108: 3289-3294. DOI: 10.1021/Jp031195A |
0.326 |
|
| 2004 |
Espinal JF, Montoya A, Mondragón F, Truong TN. A DFT study of interaction of carbon monoxide with carbonaceous materials Journal of Physical Chemistry B. 108: 1003-1008. DOI: 10.1021/Jp0308211 |
0.346 |
|
| 2004 |
Violi A, Truong TN, Sarofim AF. Kinetics of hydrogen abstraction reactions from Polycyclic Aromatic Hydrocarbons by H atoms Journal of Physical Chemistry A. 108: 4846-4852. DOI: 10.1021/Jp026557D |
0.472 |
|
| 2004 |
Limtrakul J, Inntam C, Truong TN. Density functional theory study of the ethylene epoxidation over Ti-substituted silicalite (TS-1) Journal of Molecular Catalysis a: Chemical. 207: 139-148. DOI: 10.1016/S1381-1169(03)00473-4 |
0.399 |
|
| 2004 |
Nguyen HMT, Zhang S, Peeters J, Truong TN, Nguyen MT. Direct ab initio dynamics studies of the reactions of HNO with H and OH radicals Chemical Physics Letters. 388: 94-99. DOI: 10.1016/J.Cplett.2004.03.005 |
0.455 |
|
| 2003 |
Ratkiewicz A, Truong TN. Application of chemical graph theory for automated mechanism generation. Journal of Chemical Information and Computer Sciences. 43: 36-44. PMID 12546535 DOI: 10.1021/Ci020297F |
0.336 |
|
| 2003 |
Zhang S, Nguyen HN, Truong TN. Theoretical study of mechanisms, thermodynamics, and kinetics of the decomposition of gas-phase α-HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) Journal of Physical Chemistry A. 107: 2981-2989. DOI: 10.1021/Jp030032J |
0.382 |
|
| 2003 |
Zhang S, Truong TN. Kinetics of hydrogen abstraction reaction class H + H-C(sp3): First-principles predictions using the reaction class transition state theory Journal of Physical Chemistry A. 107: 1138-1147. DOI: 10.1021/Jp021265Y |
0.472 |
|
| 2003 |
Shapovalov V, Wang Y, Truong TN. Theoretical analysis of the electronic spectra of water adsorbed on the rutile TiO2 (110) and MgO (100) surfaces Chemical Physics Letters. 375: 321-327. DOI: 10.1016/S0009-2614(03)00852-2 |
0.56 |
|
| 2003 |
Freedman H, Truong TN. A coupled RISM/MD or MC simulation methodology for solvation free energies Chemical Physics Letters. 381: 362-367. DOI: 10.1016/J.Cplett.2003.09.108 |
0.332 |
|
| 2002 |
Violi A, Sarofim AF, Truong TN. Mechanistic pathways to explain H/C ratio of soot precursors Combustion Science and Technology. 174: 205-222. DOI: 10.1080/713712954 |
0.36 |
|
| 2002 |
Montoya A, Mondragón F, Truong TN. First-principles kinetics of CO desorption from oxygen species on carbonaceous surface Journal of Physical Chemistry A. 106: 4236-4239. DOI: 10.1021/Jp0144294 |
0.404 |
|
| 2002 |
Montoya A, Mondragón F, Truong TN. Kinetics of nitric oxide desorption from carbonaceous surfaces Fuel Processing Technology. 77: 453-458. DOI: 10.1016/S0378-3820(02)00080-2 |
0.372 |
|
| 2002 |
Shapovalov V, Stefanovich EV, Truong TN. Nature of the excited states of the rutile TiO2(110) surface with adsorbed water Surface Science. 498: L103-L108. DOI: 10.1016/S0039-6028(01)01595-3 |
0.578 |
|
| 2002 |
Montoya A, Mondragón F, Truong TN. Adsorption on carbonaceous surfaces: Cost-effective computational strategies for quantum chemistry studies of aromatic systems Carbon. 40: 1863-1872. DOI: 10.1016/S0008-6223(02)00035-0 |
0.347 |
|
| 2001 |
Montoya A, Truong TTT, Mondragón F, Truong TN. CO desorption from oxygen species on carbonaceous surface: 1. Effects of the local structure of the active site and the surface coverage Journal of Physical Chemistry A. 105: 6757-6764. DOI: 10.1021/Jp010572L |
0.351 |
|
| 2001 |
Zhang S, Truong TN. Branching ratio and pressure dependent rate constants of multichannel unimolecular decomposition of gas-phase α-HMX: An Ab initio dynamics study Journal of Physical Chemistry A. 105: 2427-2434. DOI: 10.1021/Jp0043064 |
0.328 |
|
| 2001 |
Treesukol P, Limtrakul J, Truong TN. Adsorption of nitrogen monoxide and carbon monoxide on copper-exchanged ZSM-5: A cluster and embedded cluster study Journal of Physical Chemistry B. 105: 2421-2428. DOI: 10.1021/Jp004280G |
0.733 |
|
| 2001 |
Violi A, Sarofim AF, Truong TN. Quantum mechanical study of molecular weight growth process by combination of aromatic molecules Combustion and Flame. 126: 1506-1515. DOI: 10.1016/S0010-2180(01)00268-1 |
0.362 |
|
| 2001 |
Treesukol P, Lewis JP, Limtrakul J, Truong TN. A full quantum embedded cluster study of proton siting in chabazite Chemical Physics Letters. 350: 128-134. DOI: 10.1016/S0009-2614(01)01277-5 |
0.753 |
|
| 2001 |
Limtrakul J, Nanok T, Jungsuttiwong S, Khongpracha P, Truong TN. Adsorption of unsaturated hydrocarbons on zeolites: The effects of the zeolite framework on adsorption properties of ethylene Chemical Physics Letters. 349: 161-166. DOI: 10.1016/S0009-2614(01)01108-3 |
0.319 |
|
| 2001 |
Maity DK, Truong TN. Status of theoretical modeling of tautomerization in free-base porphyrin Journal of Porphyrins and Phthalocyanines. 5: 289-299. DOI: 10.1002/Jpp.314 |
0.624 |
|
| 2000 |
Truong TN, Maity DK, Truong TT. A combined reaction class approach with integrated molecular orbital+molecular orbital (IMOMO) methodology: A practical tool for kinetic modeling The Journal of Chemical Physics. 112: 24-30. DOI: 10.1063/1.480558 |
0.624 |
|
| 2000 |
Kovalenko A, Truong TN. Thermochemistry of solvation: A self-consistent three-dimensional reference interaction site model approach The Journal of Chemical Physics. 113: 7458-7470. DOI: 10.1063/1.1313388 |
0.311 |
|
| 2000 |
Zhang S, Truong TN. Directab initiodynamics studies of N+H2↔NH+H reaction The Journal of Chemical Physics. 113: 6149-6153. DOI: 10.1063/1.1308544 |
0.474 |
|
| 2000 |
Truong TN. Reaction class transition state theory: hydrogen abstraction reactions by hydrogen atoms as test cases Journal of Chemical Physics. 113: 4957-4964. DOI: 10.1063/1.1287839 |
0.463 |
|
| 2000 |
Zhang S, Truong TN. Thermal Rate Constants of the NO2Fission Reaction of Gas Phase α-HMX: A Direct ab Initio Dynamics Study The Journal of Physical Chemistry A. 104: 7304-7307. DOI: 10.1021/Jp001419E |
0.439 |
|
| 2000 |
Shapovalov V, Truong TN. Ab Initio Study of Water Adsorption on α-Al2O3(0001) Crystal Surface The Journal of Physical Chemistry B. 104: 9859-9863. DOI: 10.1021/Jp001399G |
0.338 |
|
| 2000 |
Vollmer JM, Truong TN. Mechanisms of hydrogen exchange of methane with H-Zeolite Y: an ab initio embedded cluster study Journal of Physical Chemistry B. 104: 6308-6312. DOI: 10.1021/Jp0008445 |
0.787 |
|
| 2000 |
Maity DK, Bell RL, Truong TN. Mechanism and Quantum Mechanical Tunneling Effects on Inner Hydrogen Atom Transfer in Free Base Porphyrin: A Direct ab Initio Dynamics Study Journal of the American Chemical Society. 122: 897-906. DOI: 10.1021/Ja9925094 |
0.637 |
|
| 2000 |
Limtrakul J, Khongpracha P, Jungsuttiwong S, Truong TN. Adsorption of carbon monoxide in H-ZSM-5 and Li-ZSM-5 zeolites: an embedded ab initio cluster study Journal of Molecular Catalysis a: Chemical. 153: 155-163. DOI: 10.1016/S1381-1169(99)00339-8 |
0.349 |
|
| 2000 |
Shapovalov V, Truong TN, Kovalenko A, Hirata F. Liquid structure at metal oxide–water interface: accuracy of a three-dimensional RISM methodology Chemical Physics Letters. 320: 186-193. DOI: 10.1016/S0009-2614(00)00191-3 |
0.569 |
|
| 1999 |
Truong TN, Duncan WT, Tirtowidjojo M. A reaction class approach for modeling gas phase reaction rates Physical Chemistry Chemical Physics. 1: 1061-1065. DOI: 10.1039/A808438F |
0.415 |
|
| 1999 |
Johnson MA, Truong TN. High-Level ab Initio and Density Functional Theory Evaluation of Combustion Reaction Energetics: NO2and HONO Elimination from Dimethylnitramine The Journal of Physical Chemistry A. 103: 8840-8846. DOI: 10.1021/Jp9925029 |
0.465 |
|
| 1999 |
Vollmer JM, Stefanovich EV, Truong TN. Molecular Modeling of Interactions in Zeolites: An Ab Initio Embedded Cluster Study of NH3Adsorption in Chabazite The Journal of Physical Chemistry B. 103: 9415-9422. DOI: 10.1021/Jp990571H |
0.774 |
|
| 1999 |
Maity DK, Duncan WT, Truong TN. Direct ab Initio Dynamics Studies of the Hydrogen Abstraction Reactions of Hydrogen Atom with Fluoromethanes The Journal of Physical Chemistry A. 103: 2152-2159. DOI: 10.1021/Jp984281X |
0.687 |
|
| 1999 |
Johnson MA, Stefanovich EV, Truong TN, Günster J, Goodman DW. Dissociation of Water at the MgO(100)−Water Interface: Comparison of Theory with Experiment The Journal of Physical Chemistry B. 103: 3391-3398. DOI: 10.1021/Jp983729R |
0.357 |
|
| 1999 |
Truong TN, Truong TT. A reaction class approach with the integrated molecular orbital+molecular orbital methodology Chemical Physics Letters. 314: 529-533. DOI: 10.1016/S0009-2614(99)01188-4 |
0.397 |
|
| 1999 |
Stefanovich EV, Truong TN. Ab initio study of water adsorption on TiO2(110): molecular adsorption versus dissociative chemisorption Chemical Physics Letters. 299: 623-629. DOI: 10.1016/S0009-2614(98)01295-0 |
0.381 |
|
| 1998 |
Truong TN. Solvent Effects on Structure and Reaction Mechanism: A Theoretical Study of [2 + 2] Polar Cycloaddition between Ketene and Imine The Journal of Physical Chemistry B. 102: 7877-7881. DOI: 10.1021/Jp9816263 |
0.412 |
|
| 1998 |
Johnson MA, Stefanovich EV, Truong TN. Theoretical Studies of Solid−Liquid Interfaces: Molecular Interactions at the MgO(001)−Water Interface The Journal of Physical Chemistry B. 102: 6391-6396. DOI: 10.1021/Jp9813995 |
0.358 |
|
| 1998 |
Stefanovich EV, Truong TN. A Simple Method for Incorporating Madelung Field Effects into ab Initio Embedded Cluster Calculations of Crystals and Macromolecules The Journal of Physical Chemistry B. 102: 3018-3022. DOI: 10.1021/Jp9802580 |
0.319 |
|
| 1998 |
Evans TJ, Truong TN. Optimizing efficiency of perturbative Monte Carlo method Journal of Computational Chemistry. 19: 1632-1638. DOI: 10.1002/(Sici)1096-987X(19981115)19:14<1632::Aid-Jcc9>3.0.Co;2-K |
0.342 |
|
| 1998 |
Duncan WT, Bell RL, Truong TN. TheRate: Program forab initio direct dynamics calculations of thermal and vibrational-state-selected rate constants Journal of Computational Chemistry. 19: 1039-1052. DOI: 10.1002/(Sici)1096-987X(19980715)19:9<1039::Aid-Jcc5>3.0.Co;2-R |
0.41 |
|
| 1997 |
Truong TN, Truong TT, Stefanovich EV. A general methodology for quantum modeling of free-energy profile of reactions in solution: An application to the Menshutkin NH3+CH3Cl reaction in water The Journal of Chemical Physics. 107: 1881-1889. DOI: 10.1063/1.474538 |
0.427 |
|
| 1997 |
Stefanovich EV, Truong TN. A theoretical approach for modeling reactivity at solid–liquid interfaces The Journal of Chemical Physics. 106: 7700-7705. DOI: 10.1063/1.473748 |
0.353 |
|
| 1997 |
Bell RL, Truong TN. Primary and Solvent Kinetic Isotope Effects in the Water-Assisted Tautomerization of Formamidine: An ab Initio Direct Dynamics Study The Journal of Physical Chemistry A. 101: 7802-7808. DOI: 10.1021/Jp971803K |
0.372 |
|
| 1997 |
Johnson MA, Stefanovich EV, Truong TN. Anab InitioStudy on the Oxidative Coupling of Methane over a Lithium-Doped MgO Catalyst: Surface Defects and Mechanism The Journal of Physical Chemistry B. 101: 3196-3201. DOI: 10.1021/Jp970012F |
0.374 |
|
| 1997 |
Truong TN. Thermal Rates of Hydrogen Exchange of Methane with Zeolite: A Directab InitioDynamics Study on the Importance of Quantum Tunneling Effects The Journal of Physical Chemistry B. 101: 2750-2752. DOI: 10.1021/Jp963242N |
0.424 |
|
| 1997 |
Truong TN, Stefanovich EV. Microsolvation of Cl anion by water clusters: Pertubative Monte Carlo simulations using a hybrid HF/MM potential Chemical Physics. 218: 31-36. DOI: 10.1016/S0301-0104(97)00041-4 |
0.353 |
|
| 1997 |
Bell RL, Taveras DL, Truong TN, Simons J. A direct ab initio dynamics study of the water-assisted tautomerization of formamide International Journal of Quantum Chemistry. 63: 861-874. DOI: 10.1002/(Sici)1097-461X(1997)63:4<861::Aid-Qua7>3.0.Co;2-U |
0.385 |
|
| 1996 |
Stefanovich EV, Truong TN. An ab initio study of solvent shifts in vibrational spectra The Journal of Chemical Physics. 105: 2961-2971. DOI: 10.1063/1.472169 |
0.322 |
|
| 1996 |
Stefanovich EV, Truong TN. Embedded density functional approach for calculations of adsorption on ionic crystals The Journal of Chemical Physics. 104: 2946-2955. DOI: 10.1063/1.471115 |
0.332 |
|
| 1996 |
Truong TN, Stefanovich EV. Development of a perturbative approach for Monte Carlo simulations using a hybrid ab initio QM/MM method Chemical Physics Letters. 256: 348-352. DOI: 10.1016/0009-2614(96)00455-1 |
0.334 |
|
| 1996 |
Truong TN, Nguyen UN, Stefanovich EV. Generalized conductor-like screening model (GCOSMO) for solvation: An assessment of its accuracy and applicability International Journal of Quantum Chemistry. 60: 1615-1622. DOI: 10.1002/(Sici)1097-461X(1996)60:7<1615::Aid-Qua43>3.0.Co;2-Y |
0.315 |
|
| 1995 |
Duncan WT, Truong TN. Thermal and vibrational‐state selected rates of the CH4+Cl↔HCl+CH3 reaction The Journal of Chemical Physics. 103: 9642-9652. DOI: 10.1063/1.470731 |
0.415 |
|
| 1995 |
Truong TN, Stefanovich EV. Analytical first and second energy derivatives of the generalized conductorlike screening model for free energy of solvation The Journal of Chemical Physics. 103: 3709-3717. DOI: 10.1063/1.470048 |
0.354 |
|
| 1995 |
Stefanovich EV, Truong TN. Correlation between the Madelung field and the reactivity of the MgO low‐coordinated surface sites The Journal of Chemical Physics. 102: 5071-5076. DOI: 10.1063/1.469556 |
0.363 |
|
| 1995 |
Truong TN. Direct ab initio dynamics studies of vibrational‐state selected reaction rate of the OH+H2→H+H2O reaction The Journal of Chemical Physics. 102: 5335-5341. DOI: 10.1063/1.469260 |
0.475 |
|
| 1995 |
Truong TN, Stefanovich EV. Hydration effects on reaction profiles: an ab initio dielectric continuum study of the SN2 Cl- + CH3Cl reaction The Journal of Physical Chemistry. 99: 14700-14706. DOI: 10.1021/J100040A018 |
0.414 |
|
| 1995 |
Zhang Q, Bell R, Truong TN. Ab Initio and Density Functional Theory Studies of Proton Transfer Reactions in Multiple Hydrogen Bond Systems The Journal of Physical Chemistry. 99: 592-599. DOI: 10.1021/J100002A022 |
0.387 |
|
| 1995 |
Stefanovich EV, Truong TN. Optimized atomic radii for quantum dielectric continuum solvation models Chemical Physics Letters. 244: 65-74. DOI: 10.1016/0009-2614(95)00898-E |
0.382 |
|
| 1994 |
Truong TN, Duncan W. A new direct ab initio dynamics method for calculating thermal rate constants from density functional theory The Journal of Chemical Physics. 101: 7408-7414. DOI: 10.1063/1.468299 |
0.431 |
|
| 1994 |
Bell RL, Truong TN. Directab initiodynamics studies of proton transfer in hydrogen‐bond systems The Journal of Chemical Physics. 101: 10442-10451. DOI: 10.1063/1.467862 |
0.451 |
|
| 1994 |
Truong TN. A directab initiodynamics approach for calculating thermal rate constants using variational transition state theory and multidimensional semiclassical tunneling methods. An application to the CH4+H↔CH3+H2reaction The Journal of Chemical Physics. 100: 8014-8025. DOI: 10.1063/1.466795 |
0.439 |
|
| 1994 |
Truong TN, Evans TJ. Direct ab Initio Dynamics Calculations of Thermal Rate Constants and Kinetic Isotope Effects for the H + H2O .tautm. OH + H2 Reaction The Journal of Physical Chemistry. 98: 9558-9564. DOI: 10.1021/J100089A032 |
0.4 |
|
| 1993 |
Tan RC, Truong TN, McCammon JA, Sussman JL. Acetylcholinesterase: electrostatic steering increases the rate of ligand binding. Biochemistry. 32: 401-3. PMID 8422348 |
0.356 |
|
| 1993 |
Liu YP, Lynch GC, Truong TN, Lu DH, Truhlar DG, Garrett BC. Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene Journal of the American Chemical Society. 115: 2408-2415. DOI: 10.1021/Ja00059A041 |
0.658 |
|
| 1993 |
Truong TN, Lu D, Lynch GC, Liu Y, Melissas VS, Stewart JJ, Steckler R, Garrett BC, Isaacson AD, Gonzalez-Lafont A, Rai SN, Hancock GC, Joseph T, Truhlar DG. MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory Computer Physics Communications. 75: 143-159. DOI: 10.1016/0010-4655(93)90172-9 |
0.661 |
|
| 1993 |
Holme TA, Truong TN. A test of density functional theory for dative bonding systems Chemical Physics Letters. 215: 53-57. DOI: 10.1016/0009-2614(93)89262-G |
0.362 |
|
| 1992 |
Truong TN, Truhlar DG. Erratum: Ab initio transition state theory calculations of the reaction rate for OH+CH4→H2O+CH3 [J. Chem. Phys. 93, 1761 (1990)] The Journal of Chemical Physics. 97: 8820-8820. DOI: 10.1063/1.464004 |
0.512 |
|
| 1992 |
Truong TN, Tanner JJ, Bala P, McCammon JA, Kouri DJ, Lesyng B, Hoffman DK. A comparative study of time dependent quantum mechanical wave packet evolution methods The Journal of Chemical Physics. 96: 2077-2084. DOI: 10.1063/1.462870 |
0.592 |
|
| 1992 |
Truong TN, McCammon JA, Kouri DJ, Hoffman DK. A combined quantum‐classical dynamics method for calculating thermal rate constants of chemical reactions in solution The Journal of Chemical Physics. 96: 8136-8142. DOI: 10.1063/1.462316 |
0.525 |
|
| 1992 |
Lu D, Truong TN, Melissas VS, Lynch GC, Liu Y, Garrett BC, Steckler R, Isaacson AD, Rai SN, Hancock GC, Lauderdale J, Joseph T, Truhlar DG. POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics Computer Physics Communications. 71: 235-262. DOI: 10.1016/0010-4655(92)90012-N |
0.679 |
|
| 1991 |
Gonzalez‐Lafont A, Truong TN, Truhlar DG. Interpolated variational transition‐state theory: Practical methods for estimating variational transition‐state properties and tunneling contributions to chemical reaction rates from electronic structure calculations The Journal of Chemical Physics. 95: 8875-8894. DOI: 10.1063/1.461221 |
0.549 |
|
| 1991 |
Natanson GA, Garrett BC, Truong TN, Joseph T, Truhlar DG. The definition of reaction coordinates for reaction‐path dynamics The Journal of Chemical Physics. 94: 7875-7892. DOI: 10.1063/1.460123 |
0.663 |
|
| 1991 |
Truong TN, McCammon JA. Direct dynamics study of intramolecular proton transfer in hydrogenoxalate anion Journal of the American Chemical Society. 113: 7504-7508. DOI: 10.1021/Ja00020A009 |
0.419 |
|
| 1991 |
Gonzalez-Lafont A, Truong TN, Truhlar DG. Direct dynamics calculations with NDDO (neglect of diatomic differential overlap) molecular orbital theory with specific reaction parameters The Journal of Physical Chemistry. 95: 4618-4627. DOI: 10.1021/J100165A009 |
0.522 |
|
| 1990 |
Truong TN, Truhlar DG. Ab initio transition state theory calculations of the reaction rate for OH+CH4→H2O+CH3 The Journal of Chemical Physics. 93: 1761-1769. DOI: 10.1063/1.459103 |
0.539 |
|
| 1990 |
Truong TN, Truhlar DG. The effects of steps, coupling to substrate vibrations, and surface coverage on surface diffusion rates and kinetic isotope effects: Hydrogen diffusion on Ni The Journal of Chemical Physics. 93: 2125-2138. DOI: 10.1063/1.459038 |
0.435 |
|
| 1990 |
Truong TN, Truhlar DG. Effect of steps and surface coverage on rates and kinetic isotope effects for reactions catalyzed by metallic surfaces: chemisorption of hydrogen on nickel The Journal of Physical Chemistry. 94: 8262-8279. DOI: 10.1021/J100384A052 |
0.485 |
|
| 1990 |
Truong TN, Truhlar DG, Chelikowsky JR, Chou MY. A new ab initio potential energy surface for hydrogen atom on ruthenium(0001) and its use for variational transition state theory and semiclassical tunneling calculations of the surface diffusion of hydrogen and deuterium The Journal of Physical Chemistry. 94: 1973-1981. DOI: 10.1021/J100368A047 |
0.512 |
|
| 1989 |
Truong TN, Truhlar DG, Baldridge KK, Gordon MS, Steckler R. Transition state structure, barrier height, and vibrational frequencies for the reaction Cl+CH4→CH3+HCl The Journal of Chemical Physics. 90: 7137-7142. DOI: 10.1063/1.456244 |
0.499 |
|
| 1989 |
Truong TN, Truhlar DG, Garrett BC. Embedded diatomics-in-molecules: a method to include delocalized electronic interactions in the treatment of covalent chemical reactions at metal surfaces The Journal of Physical Chemistry. 93: 8227-8239. DOI: 10.1021/J100362A017 |
0.615 |
|
| 1989 |
Garrett BC, Joseph T, Truong TN, Truhlar DG. Application of the large-curvature tunneling approximation to polyatomic molecules: Abstraction of H or D by methyl radical Chemical Physics. 136: 271-293. DOI: 10.1016/0301-0104(89)80052-7 |
0.652 |
|
| 1989 |
Truong TN, Hancock G, Truhlar DG. Calculation of reaction rates and kinetic isotope effects for dissociative chemisorption of H2 and D2 on Ni(100), Ni(110), and Ni(111) surfaces Surface Science. 214: 523-559. DOI: 10.1016/0039-6028(89)90186-6 |
0.514 |
|
| 1988 |
Truong TN, Truhlar DG. Surface diffusion of H, D, and T on a metal surface: The role of metal motions in the kinetic isotope effects The Journal of Chemical Physics. 88: 6611-6619. DOI: 10.1063/1.454449 |
0.452 |
|
| 1987 |
Truong TN, Truhlar DG. Surface diffusion of hydrogen on copper: the effect of phonon-adsorbate coupling on the diffusion rate The Journal of Physical Chemistry. 91: 6229-6237. DOI: 10.1021/J100308A032 |
0.408 |
|
| 1987 |
Gordon MS, Truong TN. Potential primary pyrolysis processes of methylsilane Chemical Physics Letters. 142: 110-114. DOI: 10.1016/0009-2614(87)87261-5 |
0.398 |
|
| 1986 |
Truong TN, Gordon MS. Theoretical studies of reactions of silanimine (H2SiNH) and its isomer aminosilylene (HSiNH2) Journal of the American Chemical Society. 108: 1775-1778. DOI: 10.1021/Ja00268A011 |
0.381 |
|
| 1986 |
Gordon MS, Truong TN, Bonderson EK. Potential primary pyrolysis processes for disilane Journal of the American Chemical Society. 108: 1421-1427. DOI: 10.1021/Ja00267A011 |
0.328 |
|
| 1986 |
Gordon MS, Truong TN, Pople JA. Thermal decomposition pathways of ethane Chemical Physics Letters. 130: 245-248. DOI: 10.1016/0009-2614(86)80463-8 |
0.382 |
|
| 1985 |
Dykema KJ, Truong TN, Gordon MS. Studies of silicon-phosphorus bonding Journal of the American Chemical Society. 107: 4535-4541. DOI: 10.1021/Ja00301A026 |
0.363 |
|
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