Duy Quang Dao Lecturer and Researcher,P.I. of Duy Tan Computational Chemistry (DTC2) Lab, Duy Tan University, Da Nang, Vietnam

Identifiants chercheurs

IdHAL :

duy-quang-dao

ORCID :

0000-0003-0896-5168

IdRef :

149223870

VIAF :

172188760

ISNI :

0000000122449093

ResearcherID :

http://www.researcherid.com/rid/R-5515-2018

Présentation

Dr. Duy-Quang Dao received his Ph.D. degree in 2010 in Optic-Lasers, Physico-Chemistry, and Environment from University of Lille, France. He worked as a Research Engineer of CNRS at the Institut Pprime in Chasseneuil-du-Poitou, France from 2010 to 2012. During this period, he worked in the pyrolysis of polymer and composite materials in fire conditions. After that, he joined the Institut of Research and Development of Duy Tan University, Da Nang, Viet Nam, and become Principal Investigator of Duy Tan Computational Lab (DTC2 Lab).His current research topics are related to thermochemistry and chemical kinetics of reactions between natural-based potential antioxidant compounds and persistent organic pollutants with various free radicals in different environmental conditions using the Density functional theory approaches. The reaction kinetics of organic compounds over organometallic catalysis is also his research interest.

Publications

Article dans une revue (24)

Phase-dependent thermodynamics and kinetics of sulfate radical oxidation of metazachlor herbicide: a theoretical study Dinh Hieu Truong,Nguyen Thi Ai Nhung,Sonia Taamalli,Abderrahman El Bakali,Nissrin Alharzaliet al. Chemical Papers, 2025, 79 (12), pp.8679-8700. ⟨10.1007/s11696-025-04343-7⟩ Article dans une revue hal-05446756v1
Intracellular CO 2 Capture Triggered Outperforming Biocatalytic Production of Selective Acetic Acid and Biohydrogen Housing in Porous‐Organic‐Nanofiber Nitumani Das,Triya Mukherjee,Chitra Sarkar,Ratul Paul,Duy Quang Daoet al. Angewandte Chemie International Edition, 2025, ⟨10.1002/anie.202508070⟩ Article dans une revue hal-05168460v1
Facile synthesis of boric acid-activated biochar from water hyacinth: Enhanced antibiotic adsorption and mechanistic insights van Dien Dang,Duy Quang Dao,Ha Huu Do,Iqra Rabani,Chi Van Nguyenet al. Chemical Engineering Science, 2025, 316, pp.122005. ⟨10.1016/j.ces.2025.122005⟩ Article dans une revue hal-05168459v1
HOO radical scavenging activity of curcumin I and III in physiological conditions: a theoretical investigation on the influence of acid–base equilibrium and tautomerism Dinh Hieu Truong,Thi Tu Dinh,Thi My Duyen Trinh,Thi Hong Minh Pham,Minh Quan Phamet al. RSC Advances, 2025, 15 (8), pp.5649-5664. ⟨10.1039/D4RA07769E⟩ Article dans une revue hal-05168462v1
A theoretical study on the environmental oxidation of fenpyrazamine fungicide initiated by hydroxyl radical in the aqueous phase, Hisham Khalifeh Al Rawas,Dinh Hieu Truong,Emma Schell,Jennifer Faust,Sonia Taamalliet al. Environmental Science: Processes & Impacts, 2025, 27 (1), pp.211-224. ⟨10.1039/D4EM00606B⟩ Article dans une revue hal-05135428v1
Are natural-based isothiocyanate derivatives alternative antioxidant additives used in petrochemical products? Thi Chinh Ngo,Dinh Hieu Truong,Thi Le Anh Nguyen,Quang Khuong Pham,Duy Quang Dao Royal Society Open Science, 2025, 12 (2), ⟨10.1098/rsos.241929⟩ Article dans une revue hal-05168461v1
High-Level Calculation for Assessing the Atmospheric Reactivity of Pentachlorophenol with Hydroxyl Radical: Mechanism and Kinetics Nissrin Alharzali,Ivan Černušák,Hisham K. Al Rawas,Sonia Taamalli,Abderrahman El Bakaliet al. Journal of Physical Chemistry A, 2024, 128 (48), pp.10328-10344. ⟨10.1021/acs.jpca.4c04375⟩ Article dans une revue hal-04863227v1
Oxidation of metazachlor herbicide by ozone in the gas and aqueous phases: mechanistic, kinetics, and ecotoxicity studies Cam-Tu Phan Dang,Dinh Hieu Truong,Thi Le Anh Nguyen,Sonia Taamalli,Abderrahman El Bakaliet al. Environmental Science and Pollution Research, 2024, 31 (36), pp.49427-49439. ⟨10.1007/s11356-024-34453-w⟩ Article dans une revue hal-04863213v1
Theoretical insights into the HO●-induced oxidation of chlorpyrifos pesticide: Mechanism, kinetics, ecotoxicity, and cholinesterase inhibition of degradants Dinh Hieu Truong,Thi Le Anh Nguyen,Nissrin Alharzali,Hisham Al Rawas,Sonia Taamalliet al. Chemosphere, 2024, 350, pp.141085. ⟨10.1016/j.chemosphere.2023.141085⟩ Article dans une revue hal-04388380v1
Oxidation of thiram fungicide by hydroxyl radicals in water: A theoretical study on reaction mechanism and kinetics Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen,Thanh Tung Nguyen,Sonia Taamalliet al. Vietnam Journal of Chemistry, 2024, 62, pp.547-555. ⟨10.1002/vjch.202300330⟩ Article dans une revue hal-04625786v1
New insight into environmental oxidation of phosmet insecticide initiated by HO˙ radicals in gas and water – a theoretical study Hisham K. Al Rawas,Reem Al Mawla,Thi Yen Nhi Pham,Dinh Hieu Truong,Thi Le Anh Nguyenet al. Environmental Science: Processes & Impacts, 2023, 25, pp.2042 - 2056. ⟨10.1039/d3em00325f⟩ Article dans une revue hal-04348229v1
Theoretical insights into the oxidation of quinmerac herbicide initiated by HO• radical in aqueous media: Mechanism, kinetics, and ecotoxicity Thi Chinh Ngo,Sonia Taamalli,Zainab Srour,Valérie Fèvre-Nollet,Abderrahman El Bakaliet al. Journal of Environmental Chemical Engineering, 2023, 11 (3), pp.109941. ⟨10.1016/j.jece.2023.109941⟩ Article dans une revue hal-04087907v1
Hydroxyl radical-initiated decomposition of metazachlor herbicide in the gaseous and aqueous phases: Mechanism, kinetics, and toxicity evaluation Duy Quang Dao,Sonia Taamalli,Florent Louis,Doha Kdouh,Zainab Srouret al. Chemosphere, 2023, 312, pp.137234. ⟨10.1016/j.chemosphere.2022.137234⟩ Article dans une revue hal-03864840v1
New insights into the competition between antioxidant activities and pro-oxidant risks of rosmarinic acid Dinh Hieu Truong,Thi Chinh Ngo,Nguyen Thi Ai Nhung,Duong Tuan Quang,Thi Le Anh Nguyenet al. RSC Advances, 2022, 12 (3), pp.1499-1514. ⟨10.1039/D1RA07599C⟩ Article dans une revue hal-03519113v1
Detailed kinetic study of hydrogen abstraction reactions of triphenylene, benzo[e]pyrene, dibenzo[fg,op]naphtacene, and coronene by H atoms Dorra Khiri,Sonia Taamalli,Abderrahman El Bakali,Florent Louis,Černuśák Ivanet al. International Journal of Chemical Kinetics, 2022, 54, pp.266-276. ⟨10.1002/kin.21556⟩ Article dans une revue hal-03507005v1
Thermochemical and kinetic studies of hydrogen abstraction reaction from C16H10 isomers by H atoms Dorra Khiri,Sonia Taamalli,Duy Quang Dao,Thanh-Binh Nguyen,Laurent Gasnotet al. Computational and Theoretical Chemistry, 2021, pp.113257. ⟨10.1016/j.comptc.2021.113257⟩ Article dans une revue hal-03204224v1
A theoretical study of the potential energy surface for the isomerization reaction of fluoranthene to aceanthrylene: Implications for combustion chemistry Thanh-Binh Nguyen,Dorra Khiri,Sonia Taamalli,Laurent Gasnot,Florent Louiset al. Computational and Theoretical Chemistry, 2021, pp.113118. ⟨10.1016/j.comptc.2020.113118⟩ Article dans une revue hal-03049302v1
Antioxidant and UV-radiation absorption activity of aaptamine derivatives – potential application for natural organic sunscreens Thi Le Anh Nguyen,Thi Hoai Nam Doan,Dinh Hieu Truong,Nguyen Thi Ai Nhung,Duong Tuan Quanget al. RSC Advances, 2021, 11 (35), pp.21433-21446. ⟨10.1039/D1RA04146K⟩ Article dans une revue hal-03263517v1
An efficient hydrogenation catalytic model hosted in a stable hyper-crosslinked porous-organic-polymer: from fatty acid to bio-based alkane diesel synthesis Chitra Sarkar,Subhash Chandra,Duy Quang Dao,Lee Jihyeon,Tran Khanh Ngoc Nguyenet al. Green Chemistry, 2020, 22 (6), pp.2049-2068. ⟨10.1039/C9GC03803E⟩ Article dans une revue hal-03015023v1
Theoretical Investigation of the Reaction of Pyrene Formation from Fluoranthene Dorra Khiri,Duy Quang Dao,Binh Thanh Nguyen,Laurent Gasnot,Florent Louiset al. Journal of Physical Chemistry A, 2019, 123, pp.7491 - 7498. ⟨10.1021/acs.jpca.9b06470⟩ Article dans une revue hal-03049299v1
Synergistic Effect of High-Frequency Ultrasound with Cupric Oxide Catalyst Resulting in a Selectivity Switch in Glucose Oxidation under Argon Prince Amaniampong,Quang Thang Trinh,Karine de Oliveira Vigier,Duy Quang Dao,Ngoc Han Tranet al. Journal of the American Chemical Society, 2019, 141 (37), pp.14772-14779. ⟨10.1021/jacs.9b06824⟩ Article dans une revue hal-02331621v1
Thermal degradation of epoxy resin/carbon fiber composites: Influence of carbon fiber fraction on the fire reaction properties and on the gaseous species release Duy Quang Dao,Thomas Rogaume,Jocelyn Luche,Frank Richard,Lucas Bustamante Valenciaet al. Fire and Materials, 2016, 40 (1), pp.27-47. ⟨10.1002/fam.2265⟩ Article dans une revue istex hal-03615291v1
Polyamide 6 and Polyurethane Used as Liner for Hydrogen Composite Cylinder: An Estimation of Fire Behaviours D. Quang Dao,J. Luche,T. Rogaume,F. Richard,L. Bustamante-Valenciaet al. Fire Technology, 2016, 52 (2), pp.397-420. ⟨10.1007/s10694-014-0423-4⟩ Article dans une revue hal-03637336v1
Fire protective performance of intumescent paint and ablative elastomer used for high pressure hydrogen composite cylinder Duy-Quang Dao,R. Rogaume,J. Luche,F. Richard,L. Bustamente Valenciaet al. Fire Safety Science, 2014, 11, pp.794-807. ⟨10.3801/IAFSS.FSS.11-794⟩ Article dans une revue hal-03665133v1

Communication dans un congrès (18)

Studying the Aqueous Phase Reactivity of Pesticides Using in silico Tools: Implications for Environmental Conditions Sonia Taamalli,Florent Louis,Duy Quang Dao ACS Spring 2025, Mar 2025, San Diego, United States Communication dans un congrès hal-05135380v1
Tackling the Atmospheric Chemistry of Emerging Contaminants from a Molecular Approach Florent Louis,Sonia Taamalli,Duy Quang Dao ACS Spring 2025, Mar 2025, San Diego, United States Communication dans un congrès hal-05135386v1
Unravelling the atmospheric degradation of pesticides using computational chemistry tools Nissrin Alharzali,Dinh Hieu Truong,Thi Le Anh Nguyen,Hisham K. Al Rawas,Sonia Taamalliet al. The 8th Japan-Czech-Slovakia (JCS) International Symposium on Theoretical Chemistry, Jun 2024, Sapporo, Japan Communication dans un congrès hal-04690339v1
In silico studies of the atmospheric reactivity of organic contaminants Florent Louis,Sonia Taamalli,Duy Quang Dao,Gabriel Merino Molecular-Level Understanding of Atmospheric Aerosols (MUOAA), Apr 2024, Cargèse, France Communication dans un congrès hal-04557929v1
HO•-initiated atmospheric degradation of chlorpyrifos pesticide: mechanistic, kinetic, and ecotoxicity studies Sonia Taamalli,Dinh Hieu Truong,Thi Le Anh Nguyen,Nissrin Alharzali,Hisham K. Al Rawaset al. Canadian Chemistry Conference and Exhibition (CSC 2024), Jun 2024, Winnipeg, Canada Communication dans un congrès hal-04628615v1
Modélisation de la réactivité atmosphérique de contaminants organiques : mécanismes, cinétique et écotoxicité Florent Louis,Sonia Taamalli,Duy Quang Dao Journée scientifique WP2 ECRIN, May 2024, Villeneuve d'Ascq, France Communication dans un congrès hal-04628634v1
Unveiling SERS Properties of Sub-Nanometric Silver, Copper-Silver, and Gold-Silver Clusters: A Joint Computational-Experimental Study Duy Quang Dao,Thi Chinh Ngo,Thi Le Anh Nguyen,Dinh Hieu Truong 8th International Conference on Advances in Functional Materials (AFM 2024), AFM, Dec 2024, Da Nang City, Vietnam Communication dans un congrès hal-04850291v1
SERS-based sensor using sub-nanometric copper-silver mixed cluster Ag(8-n)-Cun (n=0-8): A theoretical study for Pyridine Duy Quang Dao,Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen The 8th International Workshop on Nanotechnology and Application (IWNA 2023(, Vietnam National University of Ho Chi Minh City; People's Committee of Binh Thuan Province; CEA-LETI / MINATEC, France, Nov 2023, Phan Thiet, Binh Thuan province, Vietnam. pp.130-133 Communication dans un congrès hal-04283674v1
HO•-initiated aqueous phase degradation of metazachlor and quinmerac herbicides: mechanistic, kinetic, and ecotoxicity studies Florent Louis,Dinh Hieu Truong,Thi Chinh Ngo,Sonia Taamalli,Zainab Srouret al. Canadian Chemistry Conference and Exhibition (CSC 2023), Jun 2023, Vancouver, Canada Communication dans un congrès hal-04119789v1
Atmospheric oxidation of phosmet and quinmerac initiated by OH radicals: mechanistic, kinetic, and ecotoxicity studies Sonia Taamalli,Hisham K. Al Rawas,Thi Yen Nhi Pham,Dinh Hieu Truong,Thi Chinh Ngoet al. XLVI International Congress of Theoretical Chemists of Latin Expression, Nov 2023, Montevideo, Uruguay Communication dans un congrès hal-04348236v1
Ozonation of Phosmet Insecticide in the Gas Phase: Mechanistic and Kinetics Studies Duy Quang Dao,Thi Yen Nhi Pham,Hisham Khalifeh Al Rawas,Thi Le Anh Nguyen,Sonia Taamalliet al. 10th Asia-Pacific Association of Theoretical and Computational Chemistry Conference (APATCC), Feb 2023, Quy Nhon, Vietnam Communication dans un congrès hal-04005703v1
Studying the atmospheric reactivity of pesticides with molecular simulations Florent Louis,Doha Kdouh,Dinh Hieu Truong,Reem Al Mawla,Thi Yen Nhi Phamet al. Canadian Chemistry Conference and Exhibition CCCE, Jun 2022, Calgary, Canada Communication dans un congrès hal-03810278v1
Thermochemical and kinetic studies of hydrogen abstraction reactions of halogenated polycyclic aromatic hydrocarbons by H atoms Nesrine Bekkal,Sonia Taamalli,Dorra Khiri,Florent Louis,Marc Ribaucouret al. 2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia Communication dans un congrès hal-03814006v1
Recent insights into atmospheric chemistry of phytosanitary products, Florent Louis,Duy Quang Dao,Ivan Cernusak,Sonia Taamalli,Abderrahman El Bakaliet al. 2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia Communication dans un congrès hal-03813931v1
Atmospheric reactivity of tetraphenols Hisham K. Al Rawas,Sonia Taamalli,Nissrin Alharzali,Abderrahman El Bakali,Florent Louiset al. 2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia Communication dans un congrès hal-03814027v1
Reaction mechanism of the OH-initiated atmospheric degradation of 5-chlorophenol Nissrin Alharzali,Hisham K. Al Rawas,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. 2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia Communication dans un congrès hal-03813960v1
Hydrogen abstraction reaction of H atom from PAHs: electronic structure, reaction mechanism, and kinetics Dorra Khiri,Sonia Taamalli,Duy Quang Dao,Florent Louis,Ivan Černušáket al. Congrès International sur les Matériaux et l’ENergie (CIMEN), Nov 2021, Sousse, Tunisia Communication dans un congrès hal-03584973v1
Testing fire protective performance of intumescent flexible foam and cork material used for high pressure composite cylinders Duy Quang Dao,Thu Hien Tran,Thomas Rogaume,Jocelyn Luche,Franck Richardet al. Ninth Mediterranean Combustion Symposium (MCS 2015), Jun 2015, Rhodes, Greece. ⟨10.13140/RG.2.1.2360.9764⟩ Communication dans un congrès hal-05462948v1

Poster de conférence (80)

Degradation of Endosulfan and Thiram Pesticides by HO• Radicals in Aqueous Phase: Mechanism and Kinetic Studies Dinh Hieu Truong,Duy Quang Dao,Sonia Taamalli,Abderrahman El Bakali,Florent Louis ACS Spring 2025, Mar 2025, San Diego, France Poster de conférence hal-05135347v1
A DFT Study on The Reaction between Natural-Based Isothiocyanate Derivatives and HOꞏ Radical: Mechanisms and Kinetics Thi Chinh Ngo,Dinh Hieu Truong,Thi Le Anh Nguyen,Quang Khuong Pham,Duy Quang Dao RSC Poster 2025, Mar 2025, London, United Kingdom Poster de conférence hal-05161634v1
Hydroxyl radical initiated oxidation of methylmercury hydroxide in the aqueous phase: A theoretical study Nissrin Alharzali,Ivan Černušák,Hisham Khalifeh Al Rawas,Sonia Taamalli,Abderrahman El Bakaliet al. 20th Central European Symposium on Theoretical Chemistry, Sep 2025, High Tatras, Slovakia Poster de conférence hal-05446835v1
Mechanism and Kinetics of Ozonolysis of 1H-Pyrazole and Pyridine in Water: A DFT Benchmark Study Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen,Duy Quang Dao RSC Poster 2025, Mar 2025, London, United Kingdom Poster de conférence hal-05161633v1
High-level calculation for assessing OH-induced oxidation of pentachlorophenol Nissrin Alharzali,Ivan Černušák,Hisham Khalifeh Al Rawas,Sonia Taamalli,Abderrahman El Bakaliet al. WATOC 2025, Jun 2025, Oslo, Norway Poster de conférence hal-05135370v1
HO•-initiated degradation of β-endosulfan pesticide in the aqueous phase: A theoretical study Dinh Hieu Truong,Nguyen Thi Ai Nhung,Thi Le Anh Nguyen,Thi Chinh Ngo,Thong Le Minh-Phamet al. 15th international forum on green technology and management (IFGTM 2025), Jul 2025, Hue City, Vietnam Poster de conférence hal-05192041v1
A theoretical study on the HO●-initiated oxidation of chlorpyrifos pesticide: Mechanism, kinetics, and ecotoxicity Hisham K. Al Rawas,Dinh Hieu Truong,Thi Le Anh Nguyen,Nissrin Alharzali,Sonia Taamalliet al. 2024 scientific day of the Labex CaPPA, Mar 2024, Villeneuve d'Ascq, France Poster de conférence hal-04558241v1
The environmental degradation of fenpyrazamine fungicide induced by HO• radical in water: a theoretical study Hisham K. Al Rawas,Dinh Hieu Truong,Emma Schell,Jennifer Faust,Sonia Taamalliet al. #LatinXChem24 Twitter Poster Conference, Oct 2024, Mexico City (online), Mexico Poster de conférence hal-04863331v1
A mechanistic and kinetics study of the hydroxyl radical-initial oxidation reaction of β-endosulfan pesticide in the aqueous phase Dinh Hieu Truong,Thi Yen Nhi Pham,Thi Chinh Ngo,Thi Le Anh Nguyen,Sonia Taamalliet al. The 10th Virtual Winter School on Computational Chemistry, Jan 2024, Lausanne, Switzerland Poster de conférence hal-04463406v1
Sulfate Radical Anion-Initiated Oxidation of Metazachlor Herbicide in the Gas and Aqueous Phase : A Mechanistic and Kinetic Study Dinh Hieu Truong,Thi Ai Nhung Nguyen,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. #LatinXChem24 Twitter Poster Conference, Oct 2024, Mexico City (online), Mexico Poster de conférence hal-04864622v1
Endosulfan Oxidation Initiated by Hydroxyl Radical in The Aqueous Phase: A Mechanistic and Kinetic Study Dinh Hieu Truong,Thi Yen Nhi Pham,Thi Chinh Ngo,Thi Le Anh Nguyen,Sonia Taamalliet al. Canadian Chemistry Conference and Exhibition (CSC 2024), Jun 2024, Winnipeg, Canada Poster de conférence hal-04628688v1
Solvent Effects on the Oxidation of Carbofuran Pesticide Initiated by Hydroxyl Radicals – A Computational Study Dinh Hieu Truong,Thanh Binh Nguyen,Thi Chinh Ngo,Thi Le Anh Nguyen,Sonia Taamalliet al. #LatinXChem24 Twitter Poster Conference, Oct 2024, Mexico City (online), Mexico Poster de conférence hal-04864627v1
Is High-level Calculation Necessary for Assessing the Atmospheric Reactivity of Pentachlorophenol with Hydroxyl Radical? DFT vs. Ab initio Calculations Nissrin Alharzali,Ivan Černušák,Hisham K. Al Rawas,Sonia Taamalli,Abderrahman El Bakaliet al. 19th Central European Symposium on Theoretical Chemistry, Sep 2024, Sveti Martin na Muri, Croatia Poster de conférence hal-04863246v1
Hydroxyl radical-initiated oxidation of β-endosulfan pesticide in the aqueous phase: A mechanistic and kinetics study Dinh Hieu Truong,Thi Yen Nhi Pham,Thi Chinh Ngo,Thi Le Anh Nguyen,Sonia Taamalliet al. #RSCPoster LinkedIn Conference, Mar 2024, London, United Kingdom Poster de conférence hal-04528955v1
Carbofuran oxidation by HO radical in the gas phase Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen,Sonia Taamalli,Abderrahman El Bakaliet al. #RSCPoster LinkedIn Conference, Mar 2024, London, United Kingdom Poster de conférence hal-04528931v1
The environmental oxidation of phosmet insecticide by HO• radical in gas and water: Mechanism, kinetics, and ecotoxicity Hisham K. Al Rawas,Reem Al Mawla,Thi Yen Nhi Pham,Dinh Hieu Truong,Thi Le Anh Nguyenet al. #RSCPoster LinkedIn Conference, Mar 2024, Villeneuve d'Ascq, France Poster de conférence hal-04558273v1
Hydroxyl radical initiated degradation of alpha-endosulfan insecticide in water - A mechanistic and kinetics study Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen,Sonia Taamalli,Valerie Fèvre-Nolletet al. #LatinXChem23 Twitter Poster Conference, Oct 2023, Mexico City/Virtual, Mexico Poster de conférence hal-04257269v1
The Mechanistic and Kinetics of the Oxidation of Chlorpyrifos by Hydroxyl Radicals in the Environment Dinh Hieu Truong,Duy Quang Dao,Sonia Taamalli,Florent Louis,Thi Chinh Ngoet al. 2023 #RSCPoster Twitter conference, Feb 2023, London, United Kingdom Poster de conférence hal-04015745v1
HOꞏ-initiated Oxidation of Quinmerac Herbicide in Aqueous Media: Mechanistic and Kinetic Studies Thi Chinh Ngo,Sonia Taamalli,Zainab Srour,Valérie Fèvre-Nollet,Abderrahman El Bakaliet al. 2023 #RSCPoster Twitter conference,, Feb 2023, London, United Kingdom Poster de conférence hal-04015767v1
Theoretical study of OH-initiated decomposition of chlorpyrifos in the gaseous and aqueous phases Nissrin Alharzali,Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen,Hisham K. Al Rawaset al. 17th International Congress of Quantum Chemistry (ICQC), Jun 2023, Bratislava, Slovakia Poster de conférence hal-04140828v1
Excited-State Intramolecular Proton Transfer (ESIPT) of Acridone - A TD-DFT Study Thi Le Anh Nguyen,Dinh Hieu Truong,Thi Chinh Ngo,Duy Quang Dao 2023 #RSCPoster Twitter conference, Feb 2023, London, United Kingdom Poster de conférence hal-04015799v1
Mechanistic and Kinetic Studies on the Oxidation of Quinmerac Herbicide Initiated by HO Radical in Aqueous Media Thi Chinh Ngo,Sonia Taamalli,Zainab Srour,Valerie Fèvre-Nollet,Abderrahman El Bakaliet al. Virtual Winter School on Computational Chemistry 2023, Feb 2023, Lausanne, Switzerland Poster de conférence hal-04005686v1
Ozonolysis of Phosmet Insecticide in the Gas Phase – Mechanistic and Kinetics Study Duy Quang Dao,Dinh Hieu Truong,Thi Yen Nhi Pham,Thi Le Anh Nguyen,Thi Chinh Ngoet al. Virtual Winter School on Computational Chemistry 2023, Feb 2023, Lausanne, Switzerland Poster de conférence hal-04005685v1
A theoretical study of Thiram fungicide decomposition by HO radical in the aqueous phase Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen,Thanh Tung Nguyen,Sonia Taamalliet al. #LatinXChem2023 Twitter Poster Conference, Oct 2023, Mexico City/Virtual, Mexico Poster de conférence hal-04255873v1
Mechanistic and kinetic studies of H-abstraction reactions from fenpyrazamine fungicide by HO• radicals in aqueous phase Hisham K. Al Rawas,Cam-Tu Phan Dang,Dinh Hieu Truong,Thi Le Anh Nguyen,Emma Schellet al. 2023 #RSCPoster Twitter Conference, Feb 2023, London, United Kingdom Poster de conférence hal-04087967v1
A theoretical study on the environmental oxidation of phosmet insecticide by HO• radical Hisham K. Al Rawas,Reem Al Mawla,Thi Yen Nhi Pham,Dinh Hieu Truong,Thi Le Anh Nguyenet al. #LatinXChem23 Conference, Oct 2023, Mexico City/Virtual, Mexico Poster de conférence hal-04262801v1
Insight into the excited-state intramolecular proton transfer of Paratrimerin C – A TD-DFT study Thi Le Anh Nguyen,Dinh Hieu Truong,Thi Chinh Ngo,Duy Quang Dao 10th Asia-Pacific Association of Theoretical and Computational Chemistry Conference (APATCC), Feb 2023, Quy Nhon, Vietnam Poster de conférence hal-04005712v1
Oxidation of phosmet insecticide initiated by HO• radical in air and water environments: mechanistic, kinetic, and ecotoxicity studies Hisham K. Al Rawas,Reem Al Mawla,Thi Yen Nhi Pham,Dinh Hieu Truong,Thi Le Anh Nguyenet al. 2023 iCACGP-IGAC ECR online conference, Nov 2023, Boulder, United States Poster de conférence hal-04388231v1
Oxidation of phosmet herbicide initiated by HO·radical in air and water environments: mechanistic and kinetic studies Florent Louis,Hisham K. Al Rawas,Reem Al Mawla,Dinh Hieu Truong,Thi Yen Nhi Phamet al. 2023 #RSCPoster Twitter Conference, Feb 2023, London, United Kingdom Poster de conférence hal-04087980v1
A Computational Study on the alpha-Endosulfan Decomposition by Hydroxyl Radicals in the Aqueous Phase – A Wastewater Treatment Implication Duy Quang Dao,Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen,Sonia Taamalliet al. 2023 Twitter Latin American Conference on Environmental and Chemical Process Systems Engineering #LatinEnvChemPSE, Jul 2023, Mexico city, Mexico Poster de conférence hal-04184519v1
Mechanistic and kinetic studies of the HO•-initiated reaction of fenpyrazamine fungicide in the aqueous phase Hisham K. Al Rawas,Dinh Hieu Truong,Thi Le Anh Nguyen,Emma Schell,Sonia Taamalliet al. Canadian Chemistry Conference and Exhibition (CSC 2023), Jun 2023, Vancouver, Canada Poster de conférence hal-04133532v1
Mechanistic and Kinetic Studies of Hydroxyl-initiated Oxidation of Quinmerac Herbicide in Aqueous Media Thi Chinh Ngo,Sonia Taamalli,Zainab Srour,Valerie Fèvre-Nollet,Marc Ribaucouret al. 10th Asia-Pacific Association of Theoretical and Computational Chemistry Conference (APATCC), Feb 2023, Quy Nhon, Vietnam Poster de conférence hal-04005704v1
Insight into the Excited-State Intramolecular Proton Transfer (ESIPT) of Paratrimerin C – A TD-DFT study Thi Le Anh Nguyen,Dinh Hieu Truong,Thi Chinh Ngo,Duy Quang Dao Virtual Winter School on Computational Chemistry 2023, Feb 2023, Lausanne, Switzerland Poster de conférence hal-04005687v1
Chlorpyrifos Insecticide Oxidation by Hydroxyl Radicals in the Environment: Mechanistic, Kinetics, and Ecotoxicity Evaluation Dinh Hieu Truong,Duy Quang Dao,Sonia Taamalli,Florent Louis,Thi Chinh Ngoet al. 10th Asia-Pacific Association of Theoretical and Computational Chemistry Conference (APATCC), Feb 2023, Quy Nhon, Vietnam Poster de conférence hal-04005708v1
A Mechanistic and Kinetics Study of Ozonation of Phosmet Insecticide in the Atmospheric Conditions Duy Quang Dao,Thi Yen Nhi Pham,Hisham Khalifeh Al Rawas,Thi Le Anh Nguyen,Sonia Taamalliet al. 2023 #RSCPoster Twitter Conference, Feb 2023, London, United Kingdom Poster de conférence hal-04015723v1
Oxidation of Quinmerac by HO radical in aqueous media: A possible water treatment process Thi Chinh Ngo,Sonia Taamalli,Zainab Srour,Valerie Fèvre-Nollet,Abderrahman El Bakaliet al. LatinXChem 2022 Conference, Nov 2022, Mexico City, Mexico Poster de conférence hal-03884226v1
Ozonolysis of Metazachlor Herbicide in the Atmosphere: Mechanistic and Kinetic Study Duy Quang Dao,Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen,Sonia Taamalliet al. Twitter Latin American Conference EnvChemPSE 2022, Jul 2022, Mexico city, Mexico Poster de conférence hal-03765370v1
OH-initiated atmospheric degradation of phosmet insecticide Reem Al Mawla,Sonia Taamalli,Abderrahman El Bakali,Florent Louis,Ivan Černušáket al. 2022 scientific day of labex CaPPA, Mar 2022, Villeneuve d'Ascq, France Poster de conférence hal-03604436v1
Numerical investigation of Stilbene formation from benzyl radicals at high temperature Ines Bouchene,Dorra Khiri,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. RSC Poster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03598129v1
Flavonoid-based Iridium (III) complexes for tunable emission Thi Le Anh Nguyen,Duy Quang Dao Virtual Winter School on Computational Chemistry 2022, Feb 2022, Lausanne, Switzerland. 2022, ⟨10.1080/00268976.2022.2026509⟩ Poster de conférence hal-03592012v1
OH-radical-induced degradation of Metazachlor herbicide in aqueous phase - A kinetics and mechanistic study Duy Quang Dao,Thi Chinh Ngo,Dinh Hieu Truong,Zainab Srour,Sonia Taamalliet al. RSC Poster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03597969v1
Interaction Behaviors and SERS Spectra of Chlorpyrifos Insecticide Adsorbed on Silver Nanoparticles Duy Quang Dao,Quang Thang Trinh,Thi Chinh Ngo,Dinh Hieu Truong,Thi Le Anh Nguyen The Third European Symposium on Chemical Bonding, CBOND2022,, Sep 2022, Amsterdam, Netherlands Poster de conférence hal-03782060v1
Reactivity of H Atoms with Halogenated Polycyclic Aromatic Hydrocarbons Nesrine Bekkal,Sonia Taamalli,Abderrahman El Bakali,Florent Louis,Marc Ribaucouret al. Canadian Chemistry Conference and Exhibition CCCE, Jun 2022, Calgary, Canada Poster de conférence hal-03810376v1
OH-initiated atmospheric degradation of 2,3,4,5-chlorophenol insectide Hisham K. Al Rawas,Nissrin Alharzali,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. 2022 scientific day of labex CaPPA, Mar 2022, Villeneuve d'Ascq, France Poster de conférence hal-03604425v1
Atmospheric reactivity of pentachlorophenol with OH Radicals: abstraction and addition reaction pathways Nissrin Alharzali,Hisham K. Al Rawas,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. LatinXChem 2022 Conference, Nov 2022, Mexico City, Mexico Poster de conférence hal-03964507v1
A study of the degradation of tetrachlorophenol in the atmosphere by hydroxyl radicals Hisham K. Al Rawas,Florent Louis,Sonia Taamalli,Nissrin Alharzali,Abderrahman El Bakaliet al. 3rd European Symposium on Chemical Bonding CBOND2022, Sep 2022, Amsterdam, Netherlands Poster de conférence hal-03812680v1
Decomposition of Metazachlor by Ozone in the Gas Phase: A Computational Study Duy Quang Dao,Dinh Hieu Truong,Thi Chinh Ngo,Thi Le Anh Nguyen,Sonia Taamalliet al. LatinXChem 2022 Conference, Nov 2022, Mexico City, Mexico Poster de conférence hal-03884209v1
Competition between iron ions chelating-based antioxidant properties and Fenton-type pro-oxidant risks of rosmarinic acid Dinh Hieu Truong,Thi Chinh Ngo,Nguyen Thi Ai Nhung,Duong Tuan Quang,Nguyen Thi Le Thanhet al. RSC Poster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03598034v1
Theoretical study of radical scavenging activity and chemical repair of damaged DNA by natural oxygenated diterpenoids Thi Chinh Ngo,Duy Quang Dao,Tam V.-T. Mai,Dinh Hieu Truong,Thi Le Anh Nguyenet al. Virtual Winter School on Computational Chemistry 2022, Feb 2022, Lausanne, Switzerland Poster de conférence hal-03592015v1
Detailed Kinetic Study of stilbene reaction formation from benzyl radicalat high temperature Dorra Khiri,Sonia Taamalli,Abderrahman El Bakali,Florent Louis,Marc Ribaucouret al. Twitter Latin American Conference EnvChemPSE 2022, Jul 2022, Mexico, Mexico Poster de conférence hal-03810401v1
Metazachlor herbicide decomposition initiated by ozone and sulfate radical anion in environmental conditions – A mechanistic and kinetic study Duy Quang Dao,Thi Chinh Ngo,Zainab Srour,Dinh Hieu Truong,Sonia Taamalliet al. Canadian Chemistry Conference and Exhibition CCCE 2022, Jun 2022, Calgary, Canada Poster de conférence hal-03765354v1
Theoretical study of the OH-initiated atmospheric degradation of pentachlorophenol Nissrin Alharzali,Hisham K. Al Rawas,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. 18th Central European Symposium on Theoretical Chemistry, Sep 2022, Balatonszárszó, Hungary Poster de conférence hal-03812614v1
A theoretical study of the OH-initiated atmospheric degradation of pentachlorophenol Nissrin Alharzali,Hisham K. Al Rawas,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. RSC Poster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03598095v1
Ozonation of Phosmet Insecticide in the Gas and Aqueous Phase: A Mechanistic and Kinetic Study Duy Quang Dao,Thi Yen Nhi Pham,Hisham K. Al Rawas,Thi Le Anh Nguyen,Sonia Taamalliet al. LatinXChem 2022 Conference, Nov 2022, Mexico city, Mexico Poster de conférence hal-03884198v1
A theoretical study of the OH-initiated atmospheric degradation of several polychlorophenols Hisham K. Al Rawas,Nissrin Alharzali,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. Canadian Chemistry Conference and Exhibition CCCE, Jun 2022, Calgary, Canada. Poster de conférence hal-03810383v1
A theoretical study of the kinetics of the H-abstraction reaction from triphenylene, benzo[e]pyrene, dibenzo[fg,op]naphtacene, and coronene by H atoms: implications in combustion chemistry Dorra Khiri,Sonia Taamalli,Abderrahman El Bakali,Florent Louis,Ivan Černušáket al. RSC Poster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03598119v1
Theoretical insight on antioxidant and UV absorption activities of Aaptamines Nguyen Thi Le Thanh,Thi Hoai Nam Doan,Dinh Hieu Truong,Dorra Khiri,Sonia Taamalliet al. Twitter Poster RSC Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03598052v1
A DFT study on radical scavenging activity and chemical repair of damaged DNA by natural diterpenoids Thi Chinh Ngo,Duy Quang Dao,Tam V.-T. Mai,Dinh Hieu Truong,Thi Le Anh Nguyenet al. 2022 #RSCPoster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03596844v1
OH-initiated reaction of phosmet herbicide in the atmosphere Florent Louis,Duy Quang Dao,Reem Al Mawla,Dinh Hieu Truong,Thi Chinh Ngoet al. 3rd European Symposium on Chemical Bonding CBOND2022, Sep 2022, Amsterdam, Netherlands Poster de conférence hal-03812694v1
Reactivity of Halogenated Polycyclic Aromatic Hydrocarbons with H Atoms Nesrine Bekkal,Sonia Taamalli,Dorra Khiri,Abderrahman El Bakali,Marc Ribaucouret al. 26th International Symposium on Gas Kinetics and Related Phenomena, Aug 2022, Rennes, France Poster de conférence hal-03812526v1
Numerical investigation of trans-stilbene formation from benzyl radical at high temperature Dorra Khiri,Sonia Taamalli,Abderrahman El Bakali,Florent Louis,Marc Ribaucouret al. 26th International Symposium on Gas Kinetics and Related Phenomena, Aug 2022, Rennes, France Poster de conférence hal-03812545v1
A theoretical study of the atmospheric fate of phosmet insecticide Reem Al Mawla,Sonia Taamalli,Abderrahman El Bakali,Florent Louis,Ivan Černušáket al. RSC Poster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03598111v1
Impact of the bromine presence on H-transfer reactions from soot precursors Nesrine Bekkal,Sonia Taamalli,Dorra Khiri,Marc Ribaucour,Abderrahman El Bakaliet al. RSC Poster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03598099v1
Brominated Polycyclic Aromatics Hydrocarbons Reactivity with H Atoms Nesrine Bekkal,Sonia Taamalli,Dorra Khiri,Marc Ribaucour,Abderrahman El Bakaliet al. Journées François Lacas des Doctorants en Combustion, Mar 2022, Nancy, France Poster de conférence hal-03810435v1
Reactivity of 2,3,4,5-tetrachlorophenol with OH radicals in the atmosphere: A theoretical study Hisham K. Al Rawas,Nissrin Alharzali,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. Twitter Latin American Conference EnvChemPSE 2022, Jul 2022, Mexico, Mexico Poster de conférence hal-03810391v1
A theoretical study of the OH-initiated atmospheric degradation of several polychlorophenols Hisham K. Al Rawas,Nissrin Alharzali,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. 26th International Symposium on Gas Kinetics and Related Phenomena, Aug 2022, Rennes, France. Poster de conférence hal-03812537v1
Degradation of Metazachlor Herbicide by Hydroxyl HO• Radical in Aqueous Phase - A Theoretical Insight Duy Quang Dao,Thi Chinh Ngo,Dinh Hieu Truong,Zainab Srour,Sonia Taamalliet al. Virtual Winter School on Computational Chemistry, Feb 2022, Lausanne, Switzerland Poster de conférence hal-03586600v1
Atmospheric reactivity of phosmet insecticide Florent Louis,Sonia Taamalli,Reem Al Mawla,Hisham K. Al Rawas,Dinh Hieu Truonget al. LatinXChem 2022 Conference, Nov 2022, Mexico City, Mexico Poster de conférence hal-03964458v1
Hydrogen’s Reactivity with Halogenated Polycyclic Aromatic Hydrocarbons Nesrine Bekkal,Sonia Taamalli,Abderrahman El Bakali,Florent Louis,Marc Ribaucouret al. Twitter Latin American Conference EnvChemPSE 2022, Jul 2022, Mexico, Mexico Poster de conférence hal-03810411v1
Do the transition metal ions (Fe, Cu) influence on the oxidation of L-proline amino acid initiated by HO radical in the aqueous phase? Dinh Hieu Truong,Thi Hoang Lan Nguyen,Duy Quang Dao LatinXChem 2022 Conference, Dec 2022, Mexico City, Mexico Poster de conférence hal-03884230v1
Reactivity of H Atoms with Halogenated Polycyclic Aromatics Hydrocarbons Nesrine Bekkal,Sonia Taamalli,Dorra Khiri,Marc Ribaucour,Abderrahman El Bakaliet al. 2022 scientifc day of Labex CaPPA, Mar 2022, Villeneuve d'Ascq, France Poster de conférence hal-03604402v1
Gas-phase OH-initiated degradation of metazachlor herbicide Florent Louis,Doha Kdouh,Dinh Hieu Truong,Zainab Srour,Thi Chinh Ngoet al. RSC Poster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03598070v1
Competition between iron ions chelating-based antioxidant properties and Fenton-type pro-oxidant risks of rosmarinic acid Dinh Hieu Truong,Thi Chinh Ngo,Nguyen Thi Ai Nhung,Duong Tuan Quang,Nguyen Thi Le Thanhet al. Virtual Winter School on Computational Chemistry, Feb 2022, Lausanne, Switzerland Poster de conférence hal-03586599v1
Insights in the atmospheric reactivity of OH radicals with 2,3,4,5-chlorophenol Hisham K. Al Rawas,Nissrin Alharzali,Sonia Taamalli,Abderrahman El Bakali,Florent Louiset al. RSC Poster Twitter Conference, Mar 2022, London, United Kingdom Poster de conférence hal-03598081v1
A theoretical study of the potential energy surface for the isomerization reaction of fluoranthene to aceanthrylene: Implications for combustion chemistry Dorra Khiri,Sonia Taamalli,Duy Quang Dao,Thanh Binh Nguyen,Laurent Gasnotet al. LatinXChem 2021, Sep 2021, virtually twitter conference, Mexico Poster de conférence hal-03358121v1
Unraveling the atmospheric degradation of metazachlor Zainab Srour,Doha Kdouh,Sonia Taamalli,Dorra Khiri,Valérie Fèvre-Nolletet al. 18th European Symposium on Organic Reactivity (ESOR2021), Sep 2021, Amsterdam, Netherlands Poster de conférence hal-03358430v1
Atmospheric gas phase OH-initiated degradation of metazachlor herbicide Zainab Srour,Doha Kdouh,Sonia Taamalli,Marc Ribaucour,Abderrahman El Bakaliet al. ournées « Théorie, Modélisation et Simulation », visioconférence, Dec 2021, Rennes, France Poster de conférence hal-03584979v1
Unraveling the atmospheric degradation of metazachlor Florent Louis,Doha Kdouh,Zainab Srour,Sonia Taamalli,Dorra Khiriet al. LatinXChem2021, Sep 2021, virtually twitter conference, Mexico Poster de conférence hal-03358349v1
Isomerization reaction of fluoranthene to pyrene: A DFT study Duy Quang Dao,Thanh Binh Nguyen,Dorra Khiri,Laurent Gasnot,Florent Louiset al. The Fourth International Conference on Computational Science and Engineering (ICCSE-4), Jul 2019, Ho-Chi Minh City, Vietnam Poster de conférence hal-03087641v1
A theoretical study of pyrene formation from fluoranthene Dorra Khiri,Duy Quang Dao,Thanh Binh Nguyen,Laurent Gasnot,Florent Louiset al. 11th International Conference on Chemical Kinetics, Jun 2019, Orléans, France Poster de conférence hal-03087646v1

Thèse (1)

TECHNOLOGIES DE RECOMBUSTION AVANCEE DES OXYDES D'AZOTE : ETUDES EXPERIMENTALE ET CINETIQUE SUR PILOTE SEMI-INDUSTRIEL Duy Quang Dao Chimie analytique. Université des Sciences et Technologie de Lille - Lille I, 2010. Français. ⟨NNT : ⟩ Thèse tel-00650087v1