TECHNICAL ARTICLES 

2025

[106] Reaction Kinetics of NH2 with H2CO and CH3CHO: Modeling Implications for NH3-Dual Fuel Blends 

Krishna Prasad Shrestha, Tam V.-T. Mai, Sushant Giri, Mahendra Reddy, Milán Szőri, Rakhi, Fabian Mauss, Binod Raj Giri*, and Lam Kim Huynh*

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2025 |DOI: xxx | (accepted).

[105] Theoretical Kinetic Study of NH2 Reactions with Dimethyl Ether and Diethyl Ether: Implications for Kinetic Modeling  

Binod R. Giri*, Tam V.-T. Mai, Krishna P. Shrestha*, Sushant Giri, Rakhi Rakhi, Mahendra Reddy, Fabian Mauss and Lam K. Huynh*

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2025 |DOI: 10.1002/kin.21779|.

[104] A Comprehensive Chemical Kinetic Modeling and Experimental Study of NH3-Methanol/Ethanol Combustion Towards Net-Zero CO2 Emissions  

Krishna P. Shrestha*, Binod R. Giri*, Ronan Pele, Khalid Aljohani, Pierre Brequigny, Fabian Mauss, Fabien Halter, Lam K. Huynh, Christine Rousselle

COMBUSTION AND FLAME, 2025,  DOI:  10.1016/j.combustflame.2024.113954|.

[103] Ab initio Kinetics of OH + Fulvenallene

Tam V.-T. Mai*, Quan Phung, Nguyen-Nguyen Pham-Tran, Loc T. Nguyen, Lan N. Tran, Lam K. Huynh*

COMBUSTION AND FLAME, 2025, 273 |DOI: 10.1016/j.combustflame.2024.113888|.

[102] Fluoxetine Alters Biophysics of DPPC and DPPG Bilayers Through Phase-Dependent and Electrostatic Interactions

Tho H. Ho, Khai G. Tran, Lam K. Huynh, Trang T. Nguyen*

JOURNAL OF PHYSICAL CHEMISTRY B, 2025 |DOI: 10.1021/acs.jpcb.4c04631|.

2024

[101] Hydrogen Abstraction Reactions by NH2 Radicals from C3-C6 Cycloalkanes: A Theoretical Study

Tam V.-T. Mai*; O My Na, Tri Pham, Lam K. Huynh* 

CHEMICAL PHYSICS LETTERS, 2024, 856, 14165 |DOI: 10.1016/j.cplett.2024.141658 |.

[100] Ab initio Kinetics of OH-Initiated Oxidation of Tetralin: New Insight into a Mixed Saturated-Unsaturated Ring Compound

Loc T. Nguyen, Tam V.-T. Mai; Lam K. Huynh* 

FUEL, 2024, 374 |DOI: 10.1016/j.fuel.2024.132427|.

[99] In vitro biological evaluation and in silico studies of linear diarylheptanoids from Curcuma aromatica Salisb. as urease inhibitors

Tho Huu Le, Dung Ngoc Phuong Ho, Hai Xuan Nguyen, Truong Nhat Van Do, Mai Thanh Thi Nguyen, Lam K Huynh, Nhan Trung Nguyen*

RSC MEDICINAL CHEMISTRY, 2024, 15, 1046 |DOI: 10.1039/d3md00645j|.

[98] Exploration of novel 3-substituted indole derivatives through multicomponent reaction: In vitro cytotoxicity, in silico docking, and molecular dynamics

Kim-Khanh-Huy Ngo, Thi-Kim-Chi Huynh, Thi-Anh Nguyen, Nguyen-Bao-Huy Pham, Thi-Hong-An Nguyen, Thi-Cam-Thu Nguyen, Hoang-Phuc Nguyen, Ngoc-Kim-Ngan Phan, Thi-Hong-No Nguyen, Dung Ngoc-Phuong Ho, Lam K. Huynh, Tran Nguyen Minh An, Thi-Kim-Dung Hoang

RESULTS IN CHEMISTRY 2024, 7, 101501 |DOI: 10.1016/j.rechem.2024.101501|.

[97] Ab Initio Kinetics of OH-Initiated Oxidation of Naphthalene: A Comprehensive Revisited Study 

Loc Nguyen, Tam V.-T. Mai, Uyen N.-P. Tran, Gia-Huy L. Hoang, Lam K. Huynh* 

ATMOSPHERIC ENVIRONMENT, 2024,  322, 120342 |DOI: 10.1016/j.atmosenv.2024.120342|.

2023

[96] Ab Initio Kinetic Insights of Atmospheric Oxidation of Vinyl Fluoride CH2CHF with OH Radicals 

Huy D. Vien, Tam V.-T. Mai, Loc Nguyen, Trang T. Nguyen, Lam K. Huynh* 

ACS EARTH AND SPACE CHEMISTRY, 2023, 8, 207 |DOI: 10.1021/acsearthspacechem.3c00205|.

[95] Ab Initio Kinetics of the CH3NH + NO2 Reaction: Formation of Nitramines and N-Alkyl Nitroxides

Loc Nguyen, Tam V.-T. Mai, Huy D. Vien, Trang T. Nguyen, Lam K. Huynh* 

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 25, 31936 |DOI: 10.1039/D3CP03333C|.

[94] Identification of potential anti-hyperglycemic compounds in Cordyceps militaris ethyl acetate extract: in vitro and in silico studies

Thanh Q. Bui, Ton That Huu Dat, Phan Tu Quy, Nguyen Thi Thanh Hai, Nguyen Minh Thai, Nguyen Vinh Phu, Le Van Tuan, Lam K. Huynh, Mai Suan Li, Nguyen Thi Ai Nhung*

JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS, 2023, |DOI: 10.1080/07391102.2023.2283156||.

[93] A Theoretical Study of NH2 Radical Reactions with Propane and Its Kinetic: Implications in NH3-Propane Blends Oxidation

Binod Raj Giri*, Krishna Prasad Shrestha*, Tam V.-T Mai, Sushant Giri, Mohammad Adil, R. Thirumaleswara Naik, Fabian Mauss, Lam K. Huynh* 

ENERGIES, 2023, 16, 5943 |DOI: 10.3390/en16165943|.

[92] Mechanistic and Kinetic Insights into OH-Initiated Atmospheric Oxidation of Hymexazol: A Computational Study 

Loc Nguyen, Gia-Huy Hoang, Uyen Tran, Tam V.-T. Mai, Huy D. Nguyen, Lam K. Huynh* 

ACS ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2023, 57, (40), 15138-15152 |DOI: 10.1021/acs.est.2c03095|.

[91] Ab initio model of choice for kinetics of OH-addition to CF2=CFCl   

Tam V.-T. Mai*, Lam K. Huynh* 

CHEMICAL PHYSICS LETTERS, 2023, 829, 140737 |DOI: 10.1016/j.cplett.2023.140737|.

[90] Interplay of Membrane Fluidity, Acyl Chain Order and Area per Lipid on Partitioning of Two Antidepressants Paroxetine and Sertraline     

Dat T. N. Ngo, Tho H. Ho, Lam K. Huynh, Trang T. Nguyen* 

SOFT MATTER, 2023, 19, 5527 |DOI: 10.1039/D3SM00462G|.

[89] OH-initiated Oxidation of Vinyl Butyrate: Ab initio Insights     

Loc T. Nguyen, Uyen N.-P. Tran, Tam V.-T. Mai, Trang T. Nguyen and Lam K. Huynh* 

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 25, 19126-19138 |DOI: 10.1039/D3CP01545A|.

[88] An ab initio RRKM-based Master Equation Study for Kinetics of OH Initiated Oxidation of 2-Methyltetrahydrofuran and Its Implications in Kinetic Modeling    

Tam V.-T. Mai, Thanh Q. Bui, Nguyen Thi Ai Nhung*, Phan Tu Quy, Krishna Prasad Shrestha, Fabian Mauss, Binod Raj Giri*, Lam K. Huynh* 

ENERGIES, 2023,16 (9)|DOI: 10.3390/en16093730|.

[87] High-Temperature Mid-IR Absorption and Reaction Kinetics of 2-Methyl-1,3-Dioxolane: An Experimental and Theoretical Study   

Mohammad Adil, Binod Raj Giri*, Tam V.-T. Mai, Milán Szőri, Lam K. Huynh*, Aamir Farooq

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY, 2023, 13, 100165 |DOI: 10.1016/j.jpap.2023.100165|.

[86] High-Temperature Mid-IR Absorption and Reaction Kinetics of 1,3-Dioxolane 

Mohammad Adil, Binod Raj Giri*, Tam V.-T. Mai, Milán Szőri, Lam K. Huynh*, Aamir Farooq

PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2023, 9 (1), 621-631|DOI: 10.1016/j.proci.2022.08.019|.

[85] Reaction Kinetics of OH Radicals with 1,3,5-Trimethyl Benzene: An Experimental and Theoretical Study 

Dapeng Liu, Binod Raj Giri*, Tam V.-T. Mai, Lam K. Huynh*, and Aamir Farooq

PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2023, 9 (1), 591-600 |DOI: 10.1016/j.proci.2022.07.072|.

2022

[84] A Theoretical Kinetic Study of the Reactions of NH2 Radicals with Methanol and Ethanol 

Binod Raj Giri*, Krishna Prasad Shrestha, Tam V.-T. Mai, Fabian Mauss, and Lam K. Huynh*

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2022, 55 (1), 3-14 |DOI: 10.1002/kin.21609|.

[83] Metal Complexes of Benzimidazole-derived as Potential Anticancer Agents: Synthesis, Characterization, Combined Experimental and Computational studies 

Van-Thanh Nguyen, Thi-Kim-Chi Huynh, Gia-Thien-Thanh Ho, Thi-Hong-An Nguyen, Thi Le Anh Nguyen, Duy Quang Dao, Tam V.-T. Mai, Lam K. Huynh, Thi-Kim-Dung Hoang*

ROYAL SOCIETY OPEN SCIENCE, 2022, 9, 220659|DOI: 10.1098/rsos.220659|.

[80] On the radical scavenging and DNA repairing activities by natural oxygenated diterpenoids: Theoretical Insights

Thi Chinh Ngo*, Duy Quang Dao, Tam V.-T. Mai, Thi Le Anh Nguyen, Lam K. Huynh* 

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2022, 62, 2365-2377.

[79] Kinetic Insights into the Reaction of Hydroxyl Radicals with 1,4-Pentadiene: A Combined Experimental and Theoretical Study

Binod Raj Giri*, Tam V.-T. Mai, Thi T.-D. Nguyen, Milán Szőri, Lam K. Huynh*, Aamir Farooq

COMBUSTION AND FLAME, 2022, 241,  |DOI: 10.1016/j.combustflame.2022.112153|.

[78] Reaction Kinetics of 1,4-Cyclohexadiene with OH radicals: An Experimental and Theoretical Study

Binod Raj Giri, Tam V.-T. Mai, Mohamed Assali, Thi T.-D. Nguyen, Hieu T. Nguyen, Milán Szőri, Lam K. Huynh*, Christa Fittschen* and Aamir Farooq

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 24 (13), 7836-7847 |DOI: 10.1039/D1CP04964J|.

[77] Ab Initio Kinetics of OH-Initiated Oxidation of Cyclopentadiene 

Tam V.-T. Mai*, Huy D. Nguyen, Phuong-Dong Nguyen, Hieu T. Nguyen, O My Na, Triet H.-M. Le, Lam K. Huynh* 

FUEL, 2022, 317, 123305 |DOI: 10.1016/j.fuel.2022.123305|.

[76] Ab Initio Kinetics of Initial Thermal Pyrolysis of Isopropyl Propionate: A Revisited Study 

Tam V.-T. Mai* and Lam K. Huynh*

ACS OMEGA, 2022 , 7, 1, 661–668 |DOI: 10.1021/acsomega.1c05280|.

2021

[75] Comment on the detailed kinetic mechanism of the atmospheric OH-initiated reaction of oxazole

Tam V.-T. Mai and Lam K. Huynh

NEW JOURNAL OF CHEMISTRY, 2021, 45(30), 13644-13648|DOI: 10.1039/d1nj01020d|.

[74] New-synthesised oxime and lactone derivatives from Dipterocarpus alatus dipterocarpol as anti-diabetic inhibitors: experimental bioassay-based evidence and theoretical computation-based prediction

Tran Thi Phuong Thao et al. 

RSC ADVANCES, 2021, 11, 35765 |DOI: 10.1039/d1ra04461c|.

[73] New Mechanistic Insights into Atmospheric Oxidation of Aniline Initiated by OH Radicals 

Tam V.-T. Mai, Thi T.-D. Nguyen, Hieu T. Nguyen, Trang T. Nguyen and Lam K. Huynh

ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2021 55 (12), 7858-7868|DOI: 10.1021/acs.est.1c01865|.

[72] Multiple dehydrogenation of fluorene cation and neutral fluorene using the statistical molecular fragmentation model

Pierre Désesquelles, Nguyen-Thi Van-Oanh, Lejin Xu, Yining Luo, Tam V.-T. Mai, Lam K. Huynh and Dominik Domin

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021 23 (16), 9900-9910 |DOI: 10.1039/D0CP06100J|.

[71] Ab Initio Kinetic Mechanism of OH-Initiated Atmospheric Oxidation of Pyrrole

Tam V.-T. Mai, Hieu T. Nguyen and Lam K. Huynh

CHEMOSPHERE, 2021 263, 127850 |DOI: 10.1016/j.chemosphere.2020.127850|.

[J70] Detailed Kinetic Mechanism of Thermal Decomposition of Furyl Radicals: Theoretical Insights 

Thi Nguyen, Nhung Pham, Tam V.-T. Mai, Hoang Nguyen and Lam K. Huynh

FUEL, 2021 288 |DOI: 10.1016/j.fuel.2020.119699|.

[J69] Kinetics and thermochemistry of cyclohexadienes reactions with hydroxyl radicals

DapengLiu, Binod RajGiri, MilánSzőri, BélaViskolcz, Lam K. Huynh, Aamir Farooq

PROCEEDINGS OF THE COMBUSTION INSTITUTE, 2021 38 (1), 947-955  |DOI: 10.1016/j.proci.2020.06.259|.

[J68] Screening for Streptococcus pyogenes antibacterial and Candida albicans antifungal bioactivities of organic compounds in natural essential oils of Piper betle L., Cleistocalyx operculatus L. and Ageratum conyzoides L

Bui Thi Phuong  Thuy et al. 

CHEMICAL PAPERS, 2021, 75, 1507 |DOI: 10.1007/s11696-020-01404-x|.

2020

[J67] Detailed Kinetics of Hydrogen Abstraction from trans-Decalin by OH Radicals: The Role of Hindered Internal Rotation Treatment 

Tam V.-T. Mai and Lam K. Huynh

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22, 25740 |DOI: 10.1039/D0CP04314A|.

[J66] A compact reaction mechanism and CFD for predicting formation of C2-C16 hydrocarbons in non-premixed propane flames with experimental validation 

Kuang Lin, Hsin-Yao Wang, Lam K. Huynh and Meng-Xun Han

INDUSTRIAL AND ENGINEERING CHEMISTRY RESEARCH, 2020 59, 16822 |DOI: 10.1021/acs.iecr.0c02935|.

[J65] Kinetics of Hydrogen Abstraction from CH3SH by OH Radicals: An Ab Initio RRKM-based Master Equation Study 

Tam V.-T. Mai, Hieu T. Nguyen and Lam K. Huynh

ATMOSPHERIC ENVIRONMENT, 2020  242|DOI: 10.1016/j.atmosenv.2020.117833|.

[64] 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

Thanh Q. Bui et al. 

RSC ADVANCES, 2020 10, 30961  |DOI: 10.1039/d0ra05159d|.

[J63] Thermal Unimolecular Decomposition of Ethyl 2-Furoate and Its Reactivity towards OH Radical – A Theoretical Study 

Tam V.-T. Mai, Kuang C. Lin and Lam K. Huynh

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2020  52(9), 580-588|10.1002/kin.21371|.

[J62] Investigation into SARS-CoV-2 Resistance of Compounds in Garlic Essential Oil

Bui Thi Phuong Thuy, et al. 

ACS OMEGA, 2020  5, 8312-8320 |DOI: 10.1021/acsomega.0c00772|.

[J61] Natural acridones and coumarins as free radical scavengers: Mechanistic and kinetic studies 

Thi Chinh Ngo, Tam V.T. Mai, Thao Thi Pham, Svetlana Jeremic, Zoran Markovic, Lam K. Huynh and Duy Quang Dao

CHEMICAL PHYSICS LETTERS, 2020  746, 137312 |DOI: 10.1016/j.cplett.2020.137312|.

[J60] Theoretical Kinetics of the C2H4 + NH2 Reaction

Tam V.-T. Mai, Minh v. Duong and Lam K. Huynh

COMBUSTION AND FLAME, 2020 215, 193-202 |DOI:  10.1016/j.combustflame.2019.12.007|.

[J59] Ab-initio Studies of Thermal Unimolecular Decomposition of Furan: A Complementary Deterministic and Stochastic Mater Equation Model

Tam V.-T. Mai, Yao-Yuan Chuang, Binod R Girid and  Lam K. Huynh

FUEL, 2020 264, 116492 |DOI: 10.1016/j.fuel.2019.116492|.

[J58] The Role of Low-lying Conformers and Pressure Effect in Kinetic Modeling of Hydrogen Abstraction of Tertiary Amyl Methyl Ether by OH Radicals 

Tam V.-T. Mai and  Lam K. Huynh

FUEL, 2020 260, 116313 |DOI: 10.​1016/​j.​fuel.​2019.​116313|.

[J57] Atmospheric Chemistry of the Reaction between Propylene Carbonate and OH Radical: An Ab Initio RRKM-based Master Equation Study 

Tam V.-T. Mai, Hieu T. Nguyen and Lam K. Huynh

CHEMICAL PHYSICS LETTERS, 2020 739, 137020|DOI: 10.1016/j.cplett.2019.137020|.

2019

[J56] Ab Initio Dynamics of Hydrogen Abstraction from N2H4 by OH radical: An RRKM-based Master Equation Study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tam V.-T. Mai, Hieu T. Nguyen and Lam K. Huynh

2019 21(42), 23733-23741 |DOI: 10.1039/C9CP04585F|.

[J55] Comment on “Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications” [Phys. Chem. Chem. Phys., 2019, 21, 8445]. 

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tam V.-T. Mai and  Lam K. Huynh

2019, 21, 21162-21165|DOI: 10.1039/c9cp02187f|.

[J54] Ab Initio Kinetics of the C2H2 + NH2 Reaction - A Revisited Study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tam V.-T. Mai and  Lam K. Huynh

2019, 21, 17232-17239. |DOI: 10.1039/C9CP02258A|.

[J53] Kinetics of Hydrogen Abstraction from Desflurane by OH and Cl radicals - A Theoretical Study

CHEMICAL PHYSICS LETTERS

Xuan T. Le, Tam V.-T. Mai, Minh v. Duong, Lam K. Huynh

2019, 728, 142-147|DOI: 10.1016/j.cplett.2019.04.059|.

[J52] mHDFS-HoF: A Generalized multi-level Homodesmotic Fragment-Separation Reaction Based Program for Heat-of-Formation Calculation for Acyclic Hydrocarbons 

JOURNAL OF COMPUTATIONAL CHEMISTRY 

Hieu T. Nguyen, Tam V.-T. Mai, Lam K. Huynh

2019,  40, 1360-1373 |DOI: 10.1002/jcc.25790|.

[J51]  A theoretical study on the molecular encapsulation of luteolin and pinocembrin with various derivatized beta-cyclodextrins

JOURNAL OF MOLECULAR STRUCTURE 

Panupong Mahalapbutr, Kanokwan Thitinanthavet, Thadsanee kedkham, Nguyen Huy, Theu Le, Supaporn Dokmaisrijan, Lam  K. Huynh, Nawee Kungwan, and Thanyada Rungrotmongkol

2019, 1180, 480-490   |DOI: 10.1016/j.molstruc.2018.12.025|. 

2018

[J50]  Detailed Kinetics of Tetrafluoroethene Ozonolysis 

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tam V.-T. Mai, Minh v. Duong, Hieu T. Nguyen, Lam K. Huynh

2018, 20,  28059-28067,  |DOI: 10.1039/C8CP05386C |.

[J49]   Low-Temperature Oxidation Kinetics of Biodiesel Molecules: Rate Rules for Concerted HO2 Elimination from Alkyl-Ester Peroxy Radicals 

JOURNAL OF PHYSICAL CHEMISTRY A

Xuan T. Le, Tam V.-T. Mai, Kuang C. Lin, Lam K. Huynh

2018 , 122, 8259-8273, |DOI: 10.1021/acs.jpca.8b05070 |.

[J48]  On-the-fly Kinetics of Hydrogen Abstraction from Polycyclic Aromatic Hydrocarbons by Methyl/Ethyl Radicals 

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tam V.-T. Mai, Artur Ratkiewicz, An Le, Minh v. Duong, Thanh N. Truong, Lam K. Huynh

2018, 20, 23578-23592, |DOI:  10.1039/C8CP03718C |.

[J47]  Ab Initio Chemical Kinetics of the CH2OO + C2F4 Reaction

CHEMICAL PHYSICS LETTERS

Tam V.-T. Mai, Minh v. Duong, Hieu Nguyen, Kuang C. Lin, Lam K. Huynh

2018, 706: 280-284 |DOI: 10.1016/j.cplett.2018.06.013|.

[J46]  Comments on "Theoretical Investigation on H Abstraction Reaction Mechanisms and Rate Constants of Sevoflurane with the OH Radical" (Chemical Physics Letters 692 (2018) 345-352)

CHEMICAL PHYSICS LETTERS

Tam V.-T. Mai, Minh v. Duong, Lam K. Huynh

2018, 696: 67-69 |DOI: 10.1016/j.cplett.2018.02.044|.

[J45] Prediction Model for Anti-malarial Activities of Hemozoin Inhibitors using Physicochemical Properties

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Farhana Mosaddeque, Shusaku Mizukami, Mohamed Gomaa Kamel, Awet Alem Teklemichael, Truong Van Dat, Satoshi Mizuta, Dinh Van Toan, Ali Mahmoud Ahmed, Nguyen Lam Vuong, Mohamed Tamer Elhady, Hoang Thi Giang, Tran Ngoc Dang, Michiko Fukuda, Lam K. Huynh, Yoshimasa Tanaka, Tim Egan, Osamu Kaneko, Nguyen Tien Huy*, Hirayama Kenji.

2018, 62, e02424-17 |DOI: 10.1128/AAC.02424-17|.

[J44]  Detailed Kinetic Modeling of Thermal Decomposition of o-Methoxyphenol - A Model Compound for Biomass Lignin

BIOMASS AND BIOENERGY

Thoa T. Nguyen, Tam V.-T. Mai, Lam K. Huynh

2018, 112: 45-60 |DOI: 10.1016/j.biombioe.2018.02.006|.

[J43]  Ab initio Kinetics of the HOSO2 + 3O2 → SO3 + HO2 Reaction

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tam V.-T. Mai, Minh v. Duong, Hieu T. Nguyen, Lam K. Huynh

2018, 20: 6677-6687  |DOI: 10.1039/C7CP07704A|.

[J42]  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 

Minh v. Duong, Hieu T. Nguyen, Tam V.-T. Mai, Lam K. Huynh

2018, 20(2): 1231-1239 |DOI: 10.1039/C7CP06340G|.

[J41]  Identification of Hindered Internal Rotational Mode for Complex Chemical Species: A Data Mining Approach with Multivariate Logistic Regression Model

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS  

Triet H.-M. Le, Tung T. Tran, Lam K. Huynh

2018, 172: 10-16 |DOI: j.chemolab.2017.11.006|.

2017

[J40]  Ab Initio Dynamics of Unimolecular Decomposition of β-propiolactone and β-propiolactam

CHEMICAL PHYSICS LETTERS

Tam V.-T. Mai, Minh v. Duong, Xuan T. Le, Lam K. Huynh*

2017, 686: 55-59 |DOI: 10.1016/j.cplett.2017.08.033|.

[J39]  Migration and Desorption of Hydrogen Atom and Molecule on/from Graphene

CARBON

Hoai T. Nguyen, Lam K. Huynh and Thanh N. Truong*

2017, 121: 248-256 |DOI: 10.1016/j.carbon.2017.05.069|.

[J38]  Detailed Kinetic Mechanism for CH3OO + NO Reaction - An Ab Initio Study

COMPUTATIONAL AND THEORETICAL CHEMISTRY

Hoai T. Nguyen, Tam V.-T. Mai and Lam K. Huynh*

2017, 1113: 14-23 DOI: 10.1016/j.comptc.2017.04.015|.

[J37]  Kinetics of Thermal Unimolecular Decomposition of Acetic Anhydride - An Integrated Deterministic and Stochastic Model

JOURNAL OF PHYSICAL CHEMISTRY A

Tam V.-T. Mai, Minh v Duong, Hieu Nguyen, Kuang C. Lin and Lam K. Huynh*

2017, 121 (16), 3028–3036 |DOI: 10.1021/acs.jpca.7b00015|.

[J36]  A Combined High-Temperature Experimental and Theoretical Kinetic Study of Dimethyl Carbonate with OH Radicals

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fethi Khaled, Binod Raj Giri*, Milán Szőri, Tam V.-T. Mai, Lam K. Huynh*, Aamir Farooq

2017, 19, 7147-7157. |DOI: 10.1039/C6CP07318B|.

[J35]  Algorithm for Auto-Generation of Hindered Internal Rotation Parameters for Complex Chemical Systems 

COMPUTATIONAL AND THEORETICAL CHEMISTRY

Triet H.-M. Le,  Son T. Do, Lam K. Huynh*

2017, 1100, 61-69 |DOI: 10.1016/j.comptc.2016.12.011|.

[J34]  Effects of Structure and Size of Ni Nanocatalysts on Hydrogen Selectivity via Water-Gas-Shift Reaction - A First-Principles-Based Kinetic Study 

CATALYSIS TODAY

Mingxia Zhou, Thong N. Le, Lam K. Huynh, Bin Liu*

2017, 280, 210-219 |DOI: 10.1016/j.cattod.2016.07.018|.

[J33]  Performance of First-Principles based Reaction Class Transition State Theory 

JOURNAL OF PHYSICAL CHEMISTRY B 

Artur Ratkiewicz, Lam K. Huynh and Thanh N. Truong*

2016, 120 (8), 1871-84 |DOI: 10.1021/acs.jpcb.5b09564|.

[J32]  Ab initio Chemical Kinetics for the HCCO + H Reaction 

COMBUSTION SCIENCE AND TECHNOLOGY

Pham-Cam Nam, P. Raghunath, Lam K. Huynh, Shucheng Xu, M. C. Lin*

2016, 188 (7), 1095-1114 |DOI: 10.1080/00102202.2016.1151878|.

[J31]  Direct ab initio Study of the C6H6 + CH3/C2H5 = C6H5 + CH4/C2H6 Reactions 

CHEMICAL PHYSICS LETTERS

Tam V.-T. Mai, Artur Ratkiewicz, Minh v. Duong and Lam K. Huynh*

2016, 646, 102–109 |DOI: 10.1016/j.cplett.2015.12.063|.

[J30]  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 (Q1 journal in Surfaces, Coatings and Films)

Thong N.-M. Le, P. Raghunath, Lam K. Huynh* and M. C. Lin*

2016, 387, 546-556 |DOI: 10.1016/j.apsusc.2016.06.099|.

[J29]  Density function theory study of water gas shift reaction on 2Cu/ZnO surface 

COMPUTATIONAL AND THEORETICAL CHEMISTRY

Cong, V. T., Huynh, L. K., Jiang, J.-C., Nhung, N. T. A. & Tat, P. V. 

2016, 1081, 62-70, |DOI: 10.1016/j.comptc.2016.02.011|.

[J28]  MultiSpecies-MultiChannel (MSMC) – An ab initio Parallel Thermodynamic and Kinetic Code for Complex Chemical Systems 

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS (Q1 journal in Physical and Theoretical Chemistry)   

Minh v. Duong, Hieu T. Nguyen, Nghia Truong, Thong Le, Lam K. Huynh*     

2015, 47, 564-575 |DOI: 10.1002/kin.20930|.

Website: https://sites.google.com/site/msmccode/

[J27]  Mechanism and Kinetics of Low-temperature Oxidation of a Biodiesel Surrogate - Methyl Propanoate Radicals with Oxygen Molecule 

JOURNAL OF PHYSICAL CHEMISTRY A (Q1 journal in Physical and Theoretical Chemistry)

Xuan T. Le, Tam V.-T. Mai, Artur Ratkiewicz and Lam K. Huynh*  

2015, 119, 3689-3703 |DOI: 10.1021/jp5128282|.

[J26]  Mechanism and Kinetics of Low-Temperature Oxidation of a Biodiesel Surrogate – Methyl Acetate Radicals with Molecular Oxygen 

STRUCTURAL CHEMISTRY (Q2 journal in Physical and Theoretical Chemistry)  

Tam V.-T. Mai, Xuan T. Le, and Lam K. Huynh* 

2015, 26(2), 431-444 |DOI: 10.1007/s11224-014-0495-2|.

[J25]  SurfKin - An ab initio Kinetic Code for Modeling Surface Reactions 

JOURNAL OF COMPUTATIONAL CHEMISTRY (Q1 journal in Physical and Theoretical Chemistry)

Thong Nguyen-Minh Le, Bin Liu, and Lam K. Huynh* 

2014, 35, 1890–1899 |DOI: 10.1002/jcc.23704| (featured on the JCC cover, Volume 35, Issue 26). 

Website: https://sites.google.com/site/surfkincode/home

[J24]  Density Functional Theory Study on Mechanisms of Epoxy-Phenol Curing Reaction 

JOURNAL OF COMPUTATIONAL CHEMISTRY (Q1 journal in Physical and Theoretical Chemistry)

My-Phuong Pham, Buu Q. Pham, Lam K. Huynh, Ha Q. Pham, Maurice J. Marks, and Thanh N. Truong* 

2014, 35, 1630-1640 |DOI: 10.1002/jcc.23658|.

[J23]   Direct ab-initio Dynamics Calculations of Thermal Rate Constants for the CH4 + O2 = CH3 + HO2 reaction 

STRUCTURAL CHEMISTRY

Tam V.-T. Mai, Minh v. Duong, Xuan T. Le, Lam K. Huynh*, Artur Ratkiewicz

2014, 25, 1495-1503 |DOI: 10.1007/s11224-014-0426-2|.

[J22]  Ab initio Chemical Kinetics for the HCCO + OH Reaction 

CHEMICAL PHYSICS LETTERS 

Tam V-T Mai, P. Raghunath, Xuan T. Le, Lam K. Huynh*, Pham-Cam Nam, M. C. Lin*

2014, 30, 175-181 |DOI: 10.1016/j.cplett.2013.11.060|.

[J21]  Methanol adsorption and decomposition on ZnO(1010) surface: A density functional theory study.

APPLIED SURFACE SCIENCE 

Vo, C. T., Huynh, L. K., Hung, J. Y. & Jiang, J.-C.  

2013, 280, 219-224,  |DOI:10.1016/j.apsusc.2013.04.135|.

[J20]   Kinetics of the Hydrogen Abstraction ·C2H5 + Alkane → C2H6+ Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory 

THEORETICAL CHEMISTRY ACCOUNTS

Artur Ratkiewicz, Lam K. Huynh, Quoc B. Pham, Thanh N. Truong*

2013, 132:1344 |DOI: 10.1007/s00214-013-1344-x|.

[J19]   RCARM: Reaction Classification Using Automated Reaction Mapping 

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

Tina M. Kouri, John D. Crabtree, Lam Huynh, Anthony M. Dean, and Dinesh P. Mehta*

2013, 45(2): 125-139 |DOI: 10.1002/kin.20749|.

[J18]  High-Pressure Rate Rules for Alkyl + O2 Reactions: Part 2 – The Isomerization, Cyclic Ether Formation, and β-Scission Reactions of Hydroperoxy Alkyl Radicals 

JOURNAL OF PHYSICAL CHEMISTRY A 

Stephanie Villano, Lam Huynh, Hans-Heinrich Carstensen, Anthony Dean*

2012, 116(21):5068 |DOI: 10.1021/jp3023887|.

[J17]  High-Pressure Rate Rules for Alkyl + O2 Reactions: Part 1 - The Dissociation, Concerted Elimination, and Isomerization Channels of the Alkyl Peroxy Radical 

JOURNAL OF PHYSICAL CHEMISTRY A

Stephanie Villano, Lam Huynh, Hans-Heinrich Carstensen, Anthony Dean*

2011, 15, 13425 |DOI: 10.1021/jp2079204|

[J16]   Reactions of OH with Butene Isomers: Measurements of the Overall Rates and a Theoretical Study 

JOURNAL OF PHYSICAL CHEMISTRY A

Subith Vasu, Lam Huynh, David Davidson, Ronald Hanson, David Golden*

2011, 115, 2549 |DOI: 10.1021/jp112294h|.

[J15]   Detailed Modeling of Low-Temperature Propane Oxidation: 1. The Role of Propyl + O2 Reaction 

JOURNAL OF PHYSICAL CHEMISTRY A 

Lam K. Huynh, Hans-Heinrich Carstensen, Anthony M. Dean* 

2010, 114, 6594–6607 |DOI: 10.1021/jp1017218|.

[J14]  Kinetics of the Hydrogen Abstraction C2H3. + H-C(sp3) => C2H4 + C.(sp3) Reaction Class 

JOURNAL OF PHYSICAL CHEMISTRY A 

Marta Muszyńska, Artur Ratkiewicz, Lam K. Huynh, Thanh N. Truong*

2009, 113, 8327–8336 |DOI: 10.1021/jp903762x|.

[J13]  Kinetics of Enol Formation from Reaction of OH with Propene 

JOURNAL OF PHYSICAL CHEMISTRY A 

Lam K. Huynh, Hongzhi R. Zhang, Shaowen Zhang, Eric G. Eddings, Adel F. Sarofim, Phillip R. Westmoreland, Thanh N. Truong*

2009, 113, 3177–3185 |DOI: 10.1021/jp808050j|.

[J12]  Theoretical Study on Kinetics of the H2CO + O2 → HCO + HO2 Reaction 

CHEMICAL PHYSICS LETTERS

Lam K. Huynh, Max Tirtowidjojo, Thanh N. Truong*       

2009, 469, 81–84 |DOI: 10.1016/j.cplett.2008.12.050|.

[J11]   Kinetics of 1,4 Hydrogen Migration in Alkyl Radical Reaction Class 

JOURNAL OF PHYSICAL CHEMISTRY A 

Barbara Bankiewicz, Lam K Huynh, Artur Ratkiewicz, Thanh N. Truong*

2009, 113, 1564–1573 |DOI: 10.1021/jp808874j|.

[J10]  An Experimental and Computational Study of Methyl Ester Decomposition Pathways using Shock Tubes 

PROCEEDINGS OF THE COMBUSTION INSTITUTE 

Aamir Farooq, David F. Davidson, Ron K. Hanson, Lam K. Huynh, Angela Violi       

2009, 32, 247-253 |DOI: 10.1016/j.proci.2008.06.084|.

[J09]  Kinetic Modeling of Methyl Butanoate in Shock Tube 

JOURNAL OF PHYSICAL CHEMISTRY A (Q1 journal in Physical and Theoretical Chemistry)

Lam K. Huynh, Kuang C. Lin, Angela Violi*

2008, 112, 13470-13480 |DOI: 10.1021/jp804358r|.

[J08]   Thermal Decomposition of Methyl Butanoate: An ab initio Study of a Biodiesel Fuel Surrogate 

JOURNAL OF ORGANIC CHEMISTRY (Q1 journal in Organic Chemistry) 

Lam K. Huynh, Angela Violi*

2008, 73, 94-101 |DOI: 10.1021/jo701824n|

[J07]   Kinetics Study of the OH + Alkene => H2O + Alkenyl Reaction Class 

JOURNAL OF PHYSICAL CHEMISTRY A (Q1 journal in Physical and Theoretical Chemistry)

Lam K. Huynh, Kyle Barriger, Angela Violi*   

2008, 112, 1436-1444 |DOI: 10.1021/jp077028i|.

[J06] Kinetics of Hydrogen Abstraction O(3P)+ Alkane => OH +Alkyl  Reaction Class: An Application of the Reaction Class Transition State Theory 

COMBUSTION AND FLAME (Q1 in Fuel Technology and Energy Engineering)

Lam K. Huynh, Shaowen Zhang, Thanh N. Truong*

2008, 152, 177-185 |DOI: 10.1016/j.combustflame.2007.08.006|.

[J05] Kinetics of the Hydrogen Abstraction CHO + Alkane =>  H2CO + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory 

THEORETICAL CHEMISTRY ACCOUNTS

Lam K. Huynh, Thanh N. Truong*

2008, 120, 107-117 |DOI: 10.1007/s00214-007-0311-9|.

[J04] Theoretical Study on Mechanism of Epoxy-Amine Curing Reaction 

MACROMOLECULES 

Jan-Eric Ehlers, Nelson G. Rondan, Lam K. Huynh, Ha Pham, Thanh N. Truong*

2007, 40 (12), 4370-4377 |DOI: 10.1021/ma070423m|.

[J03] Combustion Modeling and Kinetic Rate Calculations for a Stoichiometric Cyclohexane Flame. Part I: Major Reaction Pathways 

JOURNAL OF PHYSICAL CHEMISTRY A

Hongzhi R. Zhang*, Lam K. Huynh, Nawee Kungwan, Zhiwei Yang, Shaowen Zhang

2007, 111 (19), 4102-4115 |DOI: 10.1021/jp068237q|.

[J02] An ab initio Study on the Kinetics of Hydrogen Abstraction H + Alkene => H2 + Alkenyl Reaction Class 

JOURNAL OF PHYSICAL CHEMISTRY A 

Lam K. Huynh, Sylwester Panasewicz, Artur Ratkiewicz, Thanh N. Truong*

2007, 111(11), 2156-2165 |DOI: 10.1021/jp066659u|.

[J01] Kinetics of the Hydrogen Abstraction OH + Alkane =>  H2O + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory 

JOURNAL OF PHYSICAL CHEMISTRY A 

Lam K. Huynh, Artur Ratkiewicz, Thanh N. Truong*      

2006, 110 (2), 473-484 |DOI: 10.1021/jp051280d|.

NONE-TECHNICAL ARTICLES

[N1]  How to Choose a Right Advisor and Develop an Effective Relationship - A dedication to Vietnamese students

Lam K. Huynh*, Hai H. Dinh, Thi D. Dang

2009. The latest version can be found here.