| Year |
Citation |
Score |
| 2023 |
Nguyen LT, Mai TV, Vien HD, Nguyen TT, Huynh LK. kinetics of the CHNH + NO reaction: formation of nitramines and -alkyl nitroxides. Physical Chemistry Chemical Physics : Pccp. PMID 37974519 DOI: 10.1039/d3cp03333c |
0.503 |
|
| 2023 |
Nguyen LT, Hoang GL, Tran UN, Mai TV, Nguyen HD, Huynh LK. Mechanistic and Kinetic Insights into OH-Initiated Atmospheric Oxidation of Hymexazol: A Computational Study. Environmental Science & Technology. 57: 15138-15152. PMID 37782022 DOI: 10.1021/acs.est.2c03095 |
0.355 |
|
| 2023 |
Nguyen LT, Tran UN, Mai TV, Nguyen TT, Huynh LK. OH-initiated oxidation of vinyl butyrate: insights. Physical Chemistry Chemical Physics : Pccp. PMID 37431266 DOI: 10.1039/d3cp01545a |
0.488 |
|
| 2022 |
Giri BR, V-T Mai T, Assali M, Nguyen TT, Nguyen HT, Szőri M, Huynh LK, Fittschen C, Farooq A. Reaction kinetics of 1,4-cyclohexadienes with OH radicals: an experimental and theoretical study. Physical Chemistry Chemical Physics : Pccp. PMID 35297923 DOI: 10.1039/d1cp04964j |
0.491 |
|
| 2022 |
Mai TV, Huynh LK. Ab Initio Kinetics of Initial Thermal Pyrolysis of Isopropyl Propionate: A Revisited Study. Acs Omega. 7: 661-668. PMID 35036732 DOI: 10.1021/acsomega.1c05280 |
0.369 |
|
| 2021 |
Mai TV, Nguyen TT, Nguyen HT, Nguyen TT, Huynh LK. New Mechanistic Insights into Atmospheric Oxidation of Aniline Initiated by OH Radicals. Environmental Science & Technology. PMID 34043323 DOI: 10.1021/acs.est.1c01865 |
0.369 |
|
| 2020 |
Mai TV, Huynh LK. Detailed kinetics of hydrogen abstraction from -decalin by OH radicals: the role of hindered internal rotation treatment. Physical Chemistry Chemical Physics : Pccp. PMID 33146635 DOI: 10.1039/d0cp04314a |
0.376 |
|
| 2020 |
Mai TV, Nguyen HT, Huynh LK. Ab initio kinetic mechanism of OH-initiated atmospheric oxidation of pyrrole. Chemosphere. 263: 127850. PMID 32818845 DOI: 10.1016/J.Chemosphere.2020.127850 |
0.494 |
|
| 2020 |
Bui TQ, Loan HTP, My TTA, Quang DT, Thuy BTP, Nhan VD, Quy PT, Tat PV, Dao DQ, Trung NT, Huynh LK, Nhung NTA. A density functional theory study on silver and bis-silver complexes with lighter tetrylene: are silver and bis-silver carbenes candidates for SARS-CoV-2 inhibition? Insight from molecular docking simulation Rsc Advances. 10: 30961-30974. DOI: 10.1039/D0Ra05159D |
0.317 |
|
| 2020 |
Lin KC, Wang H, Huynh LK, Han M. A compact reaction mechanism and CFD for predicting formation of C2-C16 hydrocarbons in non-premixed propane flames with experimental validation Industrial & Engineering Chemistry Research. DOI: 10.1021/Acs.Iecr.0C02935 |
0.407 |
|
| 2020 |
Mai TV, Chuang Y, Giri BR, Huynh LK. Ab-initio studies of thermal unimolecular decomposition of furan: A complementary deterministic and stochastic master equation model Fuel. 264: 116492. DOI: 10.1016/J.Fuel.2019.116492 |
0.462 |
|
| 2020 |
Mai TV, Huynh LK. The role of low-lying conformers and pressure effect in kinetic modeling of hydrogen abstraction of tertiary amyl methyl ether by OH radicals Fuel. 260: 116313. DOI: 10.1016/J.Fuel.2019.116313 |
0.485 |
|
| 2020 |
Ngo TC, Mai TV-, Pham TT, Jeremic S, Markovic Z, Huynh LK, Dao DQ. Natural acridones and coumarins as free radical scavengers: Mechanistic and kinetic studies Chemical Physics Letters. 746: 137312. DOI: 10.1016/J.Cplett.2020.137312 |
0.399 |
|
| 2020 |
Mai TV, Nguyen HT, Huynh LK. Atmospheric chemistry of the reaction between propylene carbonate and OH radical: An ab initio RRKM-based master equation study Chemical Physics Letters. 739: 137020. DOI: 10.1016/J.Cplett.2019.137020 |
0.516 |
|
| 2020 |
Mai TV, Duong Mv, Huynh LK. Theoretical kinetics of the C2H4 + NH2 reaction Combustion and Flame. 215: 193-202. DOI: 10.1016/J.Combustflame.2019.12.007 |
0.466 |
|
| 2020 |
Mai TV-, Nguyen HT, Huynh LK. Kinetics of hydrogen abstraction from CH3SH by OH radicals: An ab initio RRKM-based master equation study Atmospheric Environment. 242: 117833. DOI: 10.1016/J.Atmosenv.2020.117833 |
0.518 |
|
| 2020 |
Mai TV‐, Lin KC, Huynh LK. Thermal unimolecular decomposition of ethyl 2‐furoate and its reactivity toward OH radicals: A theoretical study International Journal of Chemical Kinetics. 52: 580-588. DOI: 10.1002/Kin.21371 |
0.376 |
|
| 2019 |
Mai TV, Nguyen HT, Huynh LK. Ab initio dynamics of hydrogen abstraction from NH by OH radicals: an RRKM-based master equation study. Physical Chemistry Chemical Physics : Pccp. PMID 31637385 DOI: 10.1039/C9Cp04585F |
0.528 |
|
| 2019 |
Mai TV, Huynh LK. Comment on "Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications" by Safaei et al., Phys. Chem. Chem. Phys., 2019, 21, 8445. Physical Chemistry Chemical Physics : Pccp. PMID 31513193 DOI: 10.1039/C9Cp02187F |
0.503 |
|
| 2019 |
Mai TV, Huynh LK. Ab initio kinetics of the CH + NH reaction: a revisited study. Physical Chemistry Chemical Physics : Pccp. PMID 31347629 DOI: 10.1039/C9Cp02258A |
0.459 |
|
| 2019 |
Nguyen HT, Mai TV, Huynh LK. mHDFS-HoF: A generalized multilevel homodesmotic fragment-separation reaction based program for heat-of-formation calculation for acyclic hydrocarbons. Journal of Computational Chemistry. PMID 30786057 DOI: 10.1002/Jcc.25790 |
0.367 |
|
| 2019 |
Mahalapbutr P, Thitinanthavet K, Kedkham T, Nguyen H, Theu Lth, Dokmaisrijan S, Huynh L, Kungwan N, Rungrotmongkol T. A theoretical study on the molecular encapsulation of luteolin and pinocembrin with various derivatized beta-cyclodextrins Journal of Molecular Structure. 1180: 480-490. DOI: 10.1016/J.Molstruc.2018.12.025 |
0.572 |
|
| 2019 |
Le XT, Mai TV, Duong Mv, Huynh LK. Kinetics of hydrogen abstraction from desflurane by OH and Cl radicals – A theoretical study Chemical Physics Letters. 728: 142-147. DOI: 10.1016/J.Cplett.2019.04.059 |
0.422 |
|
| 2018 |
Mai TV, Duong MV, Nguyen HT, Huynh LK. Detailed kinetics of tetrafluoroethene ozonolysis. Physical Chemistry Chemical Physics : Pccp. PMID 30383046 DOI: 10.1039/C8Cp05386C |
0.503 |
|
| 2018 |
Le XT, Mai TV, Lin KC, Huynh LK. Low-Temperature Oxidation Kinetics of Biodiesel Molecules: Rate Rules for Concerted HO Elimination from Alkyl-Ester Peroxy Radicals. The Journal of Physical Chemistry. A. PMID 30196692 DOI: 10.1021/Acs.Jpca.8B05070 |
0.59 |
|
| 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 |
0.717 |
|
| 2018 |
Mai TV, Duong MV, Nguyen HT, Huynh LK. Ab initio kinetics of the HOSO+O→ SO+ HOreaction. Physical Chemistry Chemical Physics : Pccp. PMID 29457181 DOI: 10.1039/C7Cp07704A |
0.551 |
|
| 2018 |
Duong MV, Nguyen HT, Mai TV, Huynh LK. Global minimum profile error (GMPE) - a least-squares-based approach for extracting macroscopic rate coefficients for complex gas-phase chemical reactions. Physical Chemistry Chemical Physics : Pccp. 20: 1231-1239. PMID 29243748 DOI: 10.1039/C7Cp06340G |
0.437 |
|
| 2018 |
Mai TV, Duong Mv, Nguyen HT, Lin KC, Huynh LK. Ab initio chemical kinetics of the CH2OO + C2F4 reaction Chemical Physics Letters. 706: 280-284. DOI: 10.1016/J.Cplett.2018.06.013 |
0.441 |
|
| 2018 |
Mai TV, Duong Mv, Huynh LK. Comments on “Theoretical investigation on H abstraction reaction mechanisms and rate constants of sevoflurane with the OH radical” [Chem. Phys. Lett. 692 (2018) 345–352] Chemical Physics Letters. 696: 67-69. DOI: 10.1016/J.Cplett.2018.02.044 |
0.498 |
|
| 2018 |
Le TH, Tran TT, Huynh LK. Identification of hindered internal rotational mode for complex chemical species: A data mining approach with multivariate logistic regression model Chemometrics and Intelligent Laboratory Systems. 172: 10-16. DOI: 10.1016/J.Chemolab.2017.11.006 |
0.31 |
|
| 2018 |
Nguyen TT, Mai TV, Huynh LK. Detailed kinetic modeling of thermal decomposition of guaiacol – A model compound for biomass lignin Biomass and Bioenergy. 112: 45-60. DOI: 10.1016/J.Biombioe.2018.02.006 |
0.547 |
|
| 2017 |
Mai TV, Duong MV, Nguyen HT, Lin KC, Huynh LK. Kinetics of Thermal Unimolecular Decomposition of Acetic Anhydride - An Integrated Deterministic and Stochastic Model. The Journal of Physical Chemistry. A. PMID 28383887 DOI: 10.1021/Acs.Jpca.7B00015 |
0.542 |
|
| 2017 |
Khaled F, Giri BR, Szőri M, Mai TV, Huynh LK, Farooq A. A combined high-temperature experimental and theoretical kinetic study of the reaction of dimethyl carbonate with OH radicals. Physical Chemistry Chemical Physics : Pccp. PMID 28230869 DOI: 10.1039/C6Cp07318B |
0.588 |
|
| 2017 |
V.-T. Mai T, Duong Mv, Le XT, Huynh LK. Ab initio dynamics of unimolecular decomposition of β-propiolactone and β-propiolactam Chemical Physics Letters. 686: 55-59. DOI: 10.1016/J.Cplett.2017.08.033 |
0.309 |
|
| 2017 |
Nguyen HT, Mai TV, Huynh LK. Detailed kinetic mechanism for CH 3 OO + NO reaction – An ab initio study Computational and Theoretical Chemistry. 1113: 14-23. DOI: 10.1016/J.Comptc.2017.04.015 |
0.544 |
|
| 2017 |
Zhou M, Le TN, Huynh LK, Liu B. Effects of structure and size of Ni nanocatalysts on hydrogen selectivity via water-gas-shift reaction—A first-principles-based kinetic study Catalysis Today. 280: 210-219. DOI: 10.1016/J.Cattod.2016.07.018 |
0.441 |
|
| 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 |
0.521 |
|
| 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 |
0.692 |
|
| 2016 |
Nam PC, Raghunath P, Huynh LK, Xu S, Lin MC. Ab Initio Chemical Kinetics for the HCCO + H Reaction Combustion Science and Technology. 188: 1095-1114. DOI: 10.1080/00102202.2016.1151878 |
0.377 |
|
| 2016 |
Mai TVT, Ratkiewicz A, Duong MV, Huynh LK. Direct ab initio study of the C6H6 + CH3/C2H5 = C6H5 + CH4/C2H6 reactions Chemical Physics Letters. 646: 102-109. DOI: 10.1016/J.Cplett.2015.12.063 |
0.421 |
|
| 2016 |
Le TNM, Raghunath P, Huynh LK, Lin MC. A computational study on the adsorption configurations and reactions of SiHx(x = 1-4) on clean and H-covered Si(100) surfaces Applied Surface Science. 387: 546-556. DOI: 10.1016/J.Apsusc.2016.06.099 |
0.35 |
|
| 2015 |
Le XT, Mai TV, Ratkiewicz A, Huynh LK. Mechanism and kinetics of low-temperature oxidation of a biodiesel surrogate: methyl propanoate radicals with oxygen molecule. The Journal of Physical Chemistry. A. 119: 3689-703. PMID 25822662 DOI: 10.1021/Jp5128282 |
0.534 |
|
| 2015 |
Mai TVT, Le XT, Huynh LK. Mechanism and kinetics of low-temperature oxidation of a biodiesel surrogate-methyl acetate radicals with molecular oxygen Structural Chemistry. 26: 431-444. DOI: 10.1007/S11224-014-0495-2 |
0.55 |
|
| 2015 |
Duong MV, Nguyen HT, Truong N, Le TNM, Huynh LK. Multi-Species Multi-Channel (MSMC): An Ab Initio-based Parallel Thermodynamic and Kinetic Code for Complex Chemical Systems International Journal of Chemical Kinetics. 47: 564-575. DOI: 10.1002/Kin.20930 |
0.4 |
|
| 2014 |
Le TN, Liu B, Huynh LK. SurfKin: an ab initio kinetic code for modeling surface reactions. Journal of Computational Chemistry. 35: 1890-9. PMID 25111729 DOI: 10.1002/Jcc.23704 |
0.521 |
|
| 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 |
0.749 |
|
| 2014 |
Mai TVT, Raghunath P, Le XT, Huynh LK, Nam PC, Lin MC. Ab initio chemical kinetics for the HCCO + OH reaction Chemical Physics Letters. 592: 175-181. DOI: 10.1080/00102202.2016.1151878 |
0.475 |
|
| 2014 |
Mai TVT, Duong MV, Le XT, Huynh LK, Ratkiewicz A. Direct ab initio dynamics calculations of thermal rate constants for the CH4 + O2 = CH3 + HO2 reaction Structural Chemistry. 25: 1495-1503. DOI: 10.1007/S11224-014-0426-2 |
0.491 |
|
| 2013 |
Vo CT, Huynh LK, Hung JY, Jiang JC. Methanol adsorption and decomposition on ZnO (10 1 ̄ 0) surface: A density functional theory study Applied Surface Science. 280: 219-224. DOI: 10.1016/J.Apsusc.2013.04.135 |
0.422 |
|
| 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 |
0.701 |
|
| 2013 |
Kouri TM, Crabtree JD, Huynh L, Dean AM, Mehta DP. RCARM: Reaction classification using automated reaction mapping International Journal of Chemical Kinetics. 45: 125-139. DOI: 10.1002/Kin.20749 |
0.547 |
|
| 2012 |
Villano SM, Huynh LK, Carstensen HH, Dean AM. High-pressure rate rules for alkyl + O2 reactions. 2. The isomerization, cyclic ether formation, and β-scission reactions of hydroperoxy alkyl radicals. The Journal of Physical Chemistry. A. 116: 5068-89. PMID 22548467 DOI: 10.1021/Jp3023887 |
0.565 |
|
| 2011 |
Villano SM, Huynh LK, Carstensen HH, Dean AM. High-pressure rate rules for alkyl + O2 reactions. 1. The dissociation, concerted elimination, and isomerization channels of the alkyl peroxy radical. The Journal of Physical Chemistry. A. 115: 13425-42. PMID 22003961 DOI: 10.1021/Jp2079204 |
0.56 |
|
| 2011 |
Vasu SS, Huynh LK, Davidson DF, Hanson RK, Golden DM. Reactions of OH with butene isomers: measurements of the overall rates and a theoretical study. The Journal of Physical Chemistry. A. 115: 2549-56. PMID 21388160 DOI: 10.1021/Jp112294H |
0.501 |
|
| 2010 |
Huynh LK, Carstensen HH, Dean AM. Detailed modeling of low-temperature propane oxidation: 1. The role of the propyl + O(2) reaction. The Journal of Physical Chemistry. A. 114: 6594-607. PMID 20509639 DOI: 10.1021/Jp1017218 |
0.578 |
|
| 2010 |
Carstensen HH, Huynh LK, Dean AM. Detailed modeling of low-temperature alkane oxidation: High-pressure rate rules for alkyl+O2 reactions Aiche Annual Meeting, Conference Proceedings. |
0.309 |
|
| 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 |
0.721 |
|
| 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 |
0.709 |
|
| 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 |
0.722 |
|
| 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 |
0.626 |
|
| 2008 |
Huynh LK, Lin KC, Violi A. Kinetic modeling of methyl butanoate in shock tube. The Journal of Physical Chemistry. A. 112: 13470-80. PMID 19035670 DOI: 10.1021/Jp804358R |
0.537 |
|
| 2008 |
Huynh LK, Barriger K, Violi A. Kinetics study of the OH + alkene --> H2O + alkenyl reaction class. The Journal of Physical Chemistry. A. 112: 1436-44. PMID 18217734 DOI: 10.1021/Jp077028I |
0.635 |
|
| 2008 |
Huynh LK, Violi A. Thermal decomposition of methyl butanoate: ab initio study of a biodiesel fuel surrogate. The Journal of Organic Chemistry. 73: 94-101. PMID 18052190 DOI: 10.1021/Jo701824N |
0.568 |
|
| 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 |
0.718 |
|
| 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 |
0.649 |
|
| 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 |
0.719 |
|
| 2007 |
Zhang HR, Huynh LK, Kungwan N, Yang Z, Zhang S. Combustion modeling and kinetic rate calculations for a stoichiometric cyclohexane flame. 1. Major reaction pathways. The Journal of Physical Chemistry. A. 111: 4102-15. PMID 17388269 DOI: 10.1021/Jp068237Q |
0.671 |
|
| 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 |
0.673 |
|
| 2007 |
Huynh LK, Violi A. Ab initio study on the methyl butanoate decomposition 2007 Aiche Annual Meeting. |
0.41 |
|
| 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. |
0.711 |
|
| 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 |
0.723 |
|
| 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. |
0.733 |
|
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