| Year |
Citation |
Score |
| 2020 |
Mudchimo T, Kamchompoo S, Injongkol Y, Rattanawan R, Kungwan N, Jungsuttiwong S. Removal of HS to produce hydrogen in the presence of CO on a transition metal-doped ZSM-12 catalyst: a DFT mechanistic study. Physical Chemistry Chemical Physics : Pccp. PMID 32852020 DOI: 10.1039/D0Cp02480E |
0.331 |
|
| 2020 |
Tunsrichon S, Sukpattanacharoen C, Escudero D, Kungwan N, Youngme S, Boonmak J. A Solid-State Luminescent Cd(II) Supramolecular Coordination Framework Based on Mixed Luminophores as a Sensor for Discriminatively Selective Detection of Amine Vapors. Inorganic Chemistry. 59: 6176-6186. PMID 32314584 DOI: 10.1021/Acs.Inorgchem.0C00297 |
0.313 |
|
| 2020 |
Chaihan K, Kungwan N. Effect of number and different types of proton donors on excited-state intramolecular single and double proton transfer in bipyridine derivatives: theoretical insights New Journal of Chemistry. 44: 8018-8031. DOI: 10.1039/D0Nj01304H |
0.368 |
|
| 2020 |
Limwanich W, Meepowpan P, Kungwan N, Punyodom W. Influence of butyl group of tin chloride initiators on the non-isothermal DSC ring-opening polymerization of ε-caprolactone: The studies of kinetics, mechanism and polymer synthesis Thermochimica Acta. 683: 178458. DOI: 10.1016/J.Tca.2019.178458 |
0.309 |
|
| 2020 |
Watwiangkham A, Roongcharoen T, Kungwan N. Effect of nitrogen substitution and π-conjugation on photophysical properties and excited state intramolecular proton transfer reactions of methyl salicylate derivatives: Theoretical investigation Journal of Photochemistry and Photobiology a-Chemistry. 389: 112267. DOI: 10.1016/J.Jphotochem.2019.112267 |
0.38 |
|
| 2020 |
Poldorn P, Wongnongwa Y, Namuangruk S, Kungwan N, Golovko VB, Inceesungvorn B, Jungsuttiwong S. Theoretical mechanistic study of CO catalytic oxidation by O2 on an ultra-small 13-atom bimetallic Ag7Au6 cluster Applied Catalysis a: General. 595: 117505. DOI: 10.1016/J.Apcata.2020.117505 |
0.317 |
|
| 2019 |
Dokmaisrijan S, Kungwan N. LC-BLYP Calculations of the Structures and Photophysical Properties of [1,3]Thiazolo[4,5-]Pyrazine Derivatives in Cyclohexane and Methanol. The Journal of Physical Chemistry. A. PMID 31769683 DOI: 10.1021/Acs.Jpca.9B09074 |
0.312 |
|
| 2019 |
Mahalapbutr P, Darai N, Panman W, Opasmahakul A, Kungwan N, Hannongbua S, Rungrotmongkol T. Atomistic mechanisms underlying the activation of the G protein-coupled sweet receptor heterodimer by sugar alcohol recognition. Scientific Reports. 9: 10205. PMID 31308429 DOI: 10.1038/S41598-019-46668-W |
0.32 |
|
| 2019 |
Kerdpol K, Kicuntod J, Wolschann P, Mori S, Rungnim C, Kunaseth M, Okumura H, Kungwan N, Rungrotmongkol T. Cavity Closure of 2-Hydroxypropyl-β-Cyclodextrin: Replica Exchange Molecular Dynamics Simulations. Polymers. 11. PMID 30960130 DOI: 10.3390/Polym11010145 |
0.324 |
|
| 2019 |
Prommin C, Kerdpol K, Saelee T, Kungwan N. Effects of π-expansion, an additional hydroxyl group, and substitution on the excited state single and double proton transfer of 2-hydroxybenzaldehyde and its relative compounds: TD-DFT static and dynamic study New Journal of Chemistry. 43: 19107-19119. DOI: 10.1039/C9Nj05055H |
0.375 |
|
| 2019 |
Sukpattanacharoen C, Salaeh R, Promarak V, Escudero D, Kungwan N. Heteroatom substitution effect on electronic structures, photophysical properties, and excited-state intramolecular proton transfer processes of 3-hydroxyflavone and its analogues: A TD-DFT study Journal of Molecular Structure. 1195: 280-292. DOI: 10.1016/J.Molstruc.2019.05.113 |
0.407 |
|
| 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 |
0.632 |
|
| 2019 |
Hotarat W, Phunpee S, Rungnim C, Wolschann P, Kungwan N, Ruktanonchai U, Rungrotmongkol T, Hannongbua S. Encapsulation of alpha-mangostin and hydrophilic beta-cyclodextrins revealed by all-atom molecular dynamics simulations Journal of Molecular Liquids. 288: 110965. DOI: 10.1016/J.Molliq.2019.110965 |
0.323 |
|
| 2019 |
Daengngern R, Salaeh R, Saelee T, Kerdpol K, Kungwan N. Excited-state intramolecular proton transfer reactions of 2,5-bis(2′-benzoxazolyl)hydroquinone and its water cluster exhibiting single and double proton transfer: A TD-DFT dynamics simulation Journal of Molecular Liquids. 286: 110889. DOI: 10.1016/J.Molliq.2019.110889 |
0.364 |
|
| 2019 |
Chitpakdee C, Junkaew A, Maitarad P, Shi L, Promarak V, Kungwan N, Namuangruk S. Understanding the role of Ru dopant on selective catalytic reduction of NO with NH3 over Ru-doped CeO2 catalyst Chemical Engineering Journal. 369: 124-133. DOI: 10.1016/J.Cej.2019.03.053 |
0.342 |
|
| 2019 |
Hadsadee S, Promarak V, Sudyoadsuk T, Keawin T, Kungwan N, Jungsuttiwong S. Theoretical Study on Factors Influencing the Efficiency of D–π′–A′–π–A Isoindigo-Based Sensitizer for Dye-Sensitized Solar Cells Journal of Electronic Materials. 49: 318-332. DOI: 10.1007/S11664-019-07777-4 |
0.339 |
|
| 2019 |
Roongcharoen T, Kungwan N, Daengngern R, Sattayanon C, Namuangruk S. Nitric oxide oxidation on warped nanographene (C80H30): a DFT study Theoretical Chemistry Accounts. 138. DOI: 10.1007/S00214-018-2407-9 |
0.321 |
|
| 2018 |
Daengngern R, Camacho C, Kungwan N, Irle S. Theoretical Prediction and Analysis of the UV/Vis Absorption and Emission Spectra of Chiral Carbon Nanorings. The Journal of Physical Chemistry. A. PMID 30160478 DOI: 10.1021/Acs.Jpca.8B07270 |
0.31 |
|
| 2018 |
Yodsin N, Rungnim C, Promarak V, Namuangruk S, Kungwan N, Rattanawan R, Jungsuttiwong S. Influence of hydrogen spillover on Pt-decorated carbon nanocones for enhancing hydrogen storage capacity: A DFT mechanistic study. Physical Chemistry Chemical Physics : Pccp. 20: 21194-21203. PMID 30083668 DOI: 10.1039/C8Cp02976H |
0.326 |
|
| 2018 |
Li Y, Sun C, Song P, Ma F, Kungwan N, Sun M. Physical Insight on Mechanism of Photoinduced Charge Transfer in Multipolar Photoactive Molecules. Scientific Reports. 8: 10089. PMID 29973632 DOI: 10.1038/S41598-018-28429-3 |
0.356 |
|
| 2018 |
Daengngern R, Maitarad P, Shi L, Zhang D, Kungwan N, Promarak V, Meeprasert J, Namuangruk S. Oxotitanium-porphyrin for selective catalytic reduction of NO by NH3: a theoretical mechanism study New Journal of Chemistry. 42: 16806-16813. DOI: 10.1039/C8Nj03616K |
0.364 |
|
| 2018 |
Wongnongwa Y, Namuangruk S, Kungwan N, Jungsuttiwong S. Catalytic reduction mechanism of deoxygenation of NO via the CO-reaction pathway using nanoalloy Ag7Au6 clusters: density functional theory investigation New Journal of Chemistry. 42: 14120-14127. DOI: 10.1039/C8Nj00972D |
0.313 |
|
| 2018 |
Saelee T, Namuangruk S, Kungwan N, Junkaew A. Theoretical Insight into Catalytic Propane Dehydrogenation on Ni(111) Journal of Physical Chemistry C. 122: 14678-14690. DOI: 10.1021/Acs.Jpcc.8B03939 |
0.34 |
|
| 2018 |
Hanpaibool C, Chakcharoensap T, Arifin, Hijikata Y, Irle S, Wolschann P, Kungwan N, Pongsawasdi P, Ounjai P, Rungrotmongkol T. Theoretical analysis of orientations and tautomerization of genistein in β-cyclodextrin Journal of Molecular Liquids. 265: 16-23. DOI: 10.1016/J.Molliq.2018.05.109 |
0.347 |
|
| 2018 |
Salaeh R, Prommin C, Chansen W, Kerdpol K, Daengngern R, Kungwan N. The effect of protic solvents on the excited state proton transfer of 3-hydroxyflavone: A TD-DFT static and molecular dynamics study Journal of Molecular Liquids. 252: 428-438. DOI: 10.1016/J.Molliq.2017.12.148 |
0.368 |
|
| 2018 |
Jiwalak N, Daengngern R, Rungrotmongkol T, Jungsuttiwong S, Namuangruk S, Kungwan N, Dokmaisrijan S. A spectroscopic study of indigo dye in aqueous solution: A combined experimental and TD-DFT study Journal of Luminescence. 204: 568-572. DOI: 10.1016/J.Jlumin.2018.08.060 |
0.323 |
|
| 2018 |
Rungnim C, Faungnawakij K, Sano N, Kungwan N, Namuangruk S. Hydrogen storage performance of platinum supported carbon nanohorns: A DFT study of reaction mechanisms, thermodynamics, and kinetics International Journal of Hydrogen Energy. 43: 23336-23345. DOI: 10.1016/J.Ijhydene.2018.10.211 |
0.339 |
|
| 2018 |
Mudchimo T, Namuangruk S, Kungwan N, Jungsuttiwong S. Carbon-doped boron nitride nanosheet as a promising metal-free catalyst for NO reduction: DFT mechanistic study Applied Catalysis a: General. 557: 79-88. DOI: 10.1016/J.Apcata.2018.02.025 |
0.324 |
|
| 2017 |
Mahalapbutr P, Nutho B, Wolschann P, Chavasiri W, Kungwan N, Rungrotmongkol T. Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrins. Journal of Molecular Graphics & Modelling. 79: 72-80. PMID 29154164 DOI: 10.1016/J.Jmgm.2017.11.006 |
0.366 |
|
| 2017 |
Kungwan N, Ngaojampa C, Ogata Y, Kawatsu T, Oba Y, Kawashima Y, Tachikawa M. Solvent Dependence of Double Proton Transfer in the Formic Acid - Formamidine Complex: Path Integral Molecular Dynamics Investigation. The Journal of Physical Chemistry. A. PMID 28876929 DOI: 10.1021/Acs.Jpca.7B07010 |
0.342 |
|
| 2017 |
Prommin C, Kanlayakan N, Chansen W, Salaeh R, Kerdpol K, Daengngern R, Kungwan N. Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2'-Hydroxyphenyl)benzimidazole. The Journal of Physical Chemistry. A. PMID 28686446 DOI: 10.1021/Acs.Jpca.7B03454 |
0.376 |
|
| 2017 |
Surakhot Y, Laszlo V, Chitpakdee C, Promarak V, Sudyoadsuk T, Kungwan N, Kowalczyk T, Irle S, Jungsuttiwong S. Theoretical rationalization for reduced charge recombination in bulky carbazole-based sensitizers in solar cells. Journal of Computational Chemistry. PMID 28192642 DOI: 10.1002/Jcc.24751 |
0.358 |
|
| 2017 |
Manojai N, Daengngern R, Kerdpol K, Kungwan N, Ngaojampa C. TD-DFT Study of Absorption and Emission Spectra of 2-(2'-Aminophenyl)benzothiazole Derivatives in Water. Journal of Fluorescence. PMID 28070795 DOI: 10.1007/S10895-016-2007-9 |
0.318 |
|
| 2017 |
Wongpituk P, Nutho B, Panman W, Kungwan N, Wolschann P, Rungrotmongkol T, Nunthaboot N. Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: molecular dynamics simulation Molecular Simulation. 43: 1356-1363. DOI: 10.1080/08927022.2017.1356458 |
0.318 |
|
| 2017 |
Maitarad P, Han J, Namuangruk S, Shi L, Chitpakdee C, Meeprasert J, Junkaew A, Kungwan N, Zhang D. Theoretical guidance and experimental confirmation on catalytic tendency of M-CeO2 (M = Zr, Mn, Ru or Cu) for NH3-SCR of NO Molecular Simulation. 43: 1240-1246. DOI: 10.1080/08927022.2017.1332411 |
0.316 |
|
| 2017 |
Nutho B, Nunthaboot N, Wolschann P, Kungwan N, Rungrotmongkol T. Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes Rsc Advances. 7: 50899-50911. DOI: 10.1039/C7Ra09387J |
0.349 |
|
| 2017 |
Junkaew A, Meeprasert J, Jansang B, Kungwan N, Namuangruk S. Mechanistic study of NO oxidation on Cr–phthalocyanine: theoretical insight Rsc Advances. 7: 8858-8865. DOI: 10.1039/C7Ra00525C |
0.325 |
|
| 2017 |
Kanlayakan N, Kerdpol K, Prommin C, Salaeh R, Chansen W, Sattayanon C, Kungwan N. Effects of different proton donor and acceptor groups on excited-state intramolecular proton transfers of amino-type and hydroxy-type hydrogen-bonding molecules: theoretical insights New Journal of Chemistry. 41: 8761-8771. DOI: 10.1039/C7Nj00984D |
0.382 |
|
| 2017 |
Junkaew A, Maitarad P, Arróyave R, Kungwan N, Zhang D, Shi L, Namuangruk S. The complete reaction mechanism of H2S desulfurization on an anatase TiO2 (001) surface: a density functional theory investigation Catalysis Science & Technology. 7: 356-365. DOI: 10.1039/C6Cy02030E |
0.334 |
|
| 2017 |
Insuwan W, Rangsriwatananon K, Meeprasert J, Namuangruk S, Surakhot Y, Kungwan N, Jungsuttiwong S. Combined experimental and theoretical investigation on Fluorescence Resonance Energy Transfer of dye loaded on LTL zeolite Microporous and Mesoporous Materials. 241: 372-382. DOI: 10.1016/J.Micromeso.2016.12.020 |
0.329 |
|
| 2017 |
Manojai N, Daengngern R, Kerdpol K, Ngaojampa C, Kungwan N. Heteroatom effect on photophysical properties of 2-(2′-hydroxyphenyl)benzimidazole and its derivatives as fluorescent dyes: A TD-DFT study Journal of Luminescence. 188: 275-282. DOI: 10.1016/J.Jlumin.2017.04.040 |
0.391 |
|
| 2017 |
Sattayanon C, Namuangruk S, Kungwan N, Kunaseth M. Reaction and free-energy pathways of hydrogen activation on partially promoted metal edge of CoMoS and NiMoS: A DFT and thermodynamics study Fuel Processing Technology. 166: 217-227. DOI: 10.1016/J.Fuproc.2017.06.003 |
0.352 |
|
| 2017 |
Keawin T, Tarsang R, Sirithip K, Prachumrak N, Sudyoadsuk T, Namuangruk S, Roncali J, Kungwan N, Promarak V, Jungsuttiwong S. Anchoring number-performance relationship of zinc-porphyrin sensitizers for dye-sensitized solar cells: A combined experimental and theoretical study Dyes and Pigments. 136: 697-706. DOI: 10.1016/J.Dyepig.2016.09.035 |
0.319 |
|
| 2017 |
Chansen W, Salaeh R, Prommin C, Kerdpol K, Daengngern R, Kungwan N. Theoretical study on influence of geometry controlling over the excited-state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline and its derivatives Computational and Theoretical Chemistry. 1113: 42-51. DOI: 10.1016/J.Comptc.2017.05.008 |
0.368 |
|
| 2017 |
Kruawan S, Ratanasak M, Chanajaree R, Rungrotmongkol T, Saengsawang O, Parasuk V, Kungwan N, Hannongbua S. Ethylene insertion in the presence of new alkoxysilane electron donors for Ziegler-Natta catalyzed polyethylene Computational and Theoretical Chemistry. 1112: 10-19. DOI: 10.1016/J.Comptc.2017.04.002 |
0.344 |
|
| 2017 |
Kunaseth M, Poldorn P, Junkeaw A, Meeprasert J, Rungnim C, Namuangruk S, Kungwan N, Inntam C, Jungsuttiwong S. A DFT study of volatile organic compounds adsorption on transition metal deposited graphene Applied Surface Science. 396: 1712-1718. DOI: 10.1016/J.Apsusc.2016.11.238 |
0.317 |
|
| 2017 |
Wongnongwa Y, Namuangruk S, Kungwan N, Jungsuttiwong S. Mechanistic study of CO oxidation by N2O over Ag7Au6 cluster investigated by DFT methods Applied Catalysis a-General. 538: 99-106. DOI: 10.1016/J.Apcata.2017.03.025 |
0.338 |
|
| 2017 |
Ngaojampa C, Kawatsu T, Oba Y, Kungwan N, Tachikawa M. Asymmetric hydrogen bonding in formic acid–nitric acid dimer observed by quantum molecular dynamics simulations Theoretical Chemistry Accounts. 136. DOI: 10.1007/S00214-017-2057-3 |
0.327 |
|
| 2016 |
Chitpakdee C, Jungsuttiwong S, Sudyoadsuk T, Promarak V, Kungwan N, Namuangruk S. Modulation of π-spacer of carbazole-carbazole based organic dyes toward high efficient dye-sensitized solar cells. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 174: 7-16. PMID 27870983 DOI: 10.1016/J.Saa.2016.11.010 |
0.33 |
|
| 2016 |
Rungnim C, Promarak V, Hannongbua S, Kungwan N, Namuangruk S. Complete reaction mechanisms of mercury oxidation on halogenated activated carbon. Journal of Hazardous Materials. 310: 253-260. PMID 26943019 DOI: 10.1016/J.Jhazmat.2016.02.033 |
0.317 |
|
| 2016 |
Meeprasert J, Junkaew A, Kungwan N, Jansang B, Namuangruk S. A Cr-phthalocyanine monolayer as a potential catalyst for NO reduction investigated by DFT calculations Rsc Advances. 6: 20500-20506. DOI: 10.1039/C5Ra25631C |
0.37 |
|
| 2016 |
Rattanawan R, Promarak V, Sudyoadsuk T, Namuangruk S, Kungwan N, Yuan S, Jungsuttiwong S. Theoretical design of coumarin derivatives incorporating auxiliary acceptor with D-π-A-π-A configuration for dye-sensitized solar cells Journal of Photochemistry and Photobiology a: Chemistry. 322: 16-26. DOI: 10.1016/J.Jphotochem.2016.02.016 |
0.343 |
|
| 2016 |
Silawanich A, Muangpil S, Kungwan N, Meepowpan P, Punyodom W, Lawan N. Theoretical study of efficiency comparison of Ti (IV) alkoxides as initiators for ring-opening polymerization of ε-caprolactone Computational and Theoretical Chemistry. 1090: 17-22. DOI: 10.1016/J.Comptc.2016.05.017 |
0.311 |
|
| 2016 |
Kerdpol K, Daengngern R, Meeprasert J, Namuangruk S, Kungwan N. Theoretical insights into photoinduced proton transfer of 7-hydroxyquinoline via intermolecular hydrogen-bonded wire of mixed methanol and water Theoretical Chemistry Accounts. 135: 208. DOI: 10.1007/S00214-016-1963-0 |
0.384 |
|
| 2016 |
Namuangruk S, Jungsuttiwong S, Kungwan N, Promarak V, Sudyoadsuk T, Jansang B, Ehara M. Coumarin-based donor–π–acceptor organic dyes for a dye-sensitized solar cell: photophysical properties and electron injection mechanism Theoretical Chemistry Accounts. 135: 1-13. DOI: 10.1007/S00214-015-1769-5 |
0.356 |
|
| 2015 |
Crespo-Otero R, Kungwan N, Barbatti M. Stepwise double excited-state proton transfer is not possible in 7-azaindole dimer. Chemical Science. 6: 5762-5767. PMID 29861905 DOI: 10.1039/C5Sc01902H |
0.348 |
|
| 2015 |
Kicuntod J, Khuntawee W, Wolschann P, Pongsawasdi P, Chavasiri W, Kungwan N, Rungrotmongkol T. Inclusion complexation of pinostrobin with various cyclodextrin derivatives. Journal of Molecular Graphics & Modelling. 63: 91-98. PMID 26709752 DOI: 10.1016/J.Jmgm.2015.11.005 |
0.339 |
|
| 2015 |
Jitonnom J, Sattayanon C, Kungwan N, Hannongbua S. A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysis. Journal of Molecular Graphics & Modelling. 56: 53-9. PMID 25545678 DOI: 10.1016/J.Jmgm.2014.12.002 |
0.352 |
|
| 2015 |
Kerdpol K, Daengngern R, Kungwan N. Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water-ammonia: Microsolvated dynamics simulation Molecular Simulation. 41: 1177-1186. DOI: 10.1080/08927022.2014.958485 |
0.341 |
|
| 2015 |
Tarsang R, Promarak V, Sudyoadsuk T, Namuangruk S, Kungwan N, Khongpracha P, Jungsuttiwong S. Triple bond-modified anthracene sensitizers for dye-sensitized solar cells: A computational study Rsc Advances. 5: 38130-38140. DOI: 10.1039/C5Ra04408A |
0.333 |
|
| 2015 |
Junkaew A, Rungnim C, Kunaseth M, Arróyave R, Promarak V, Kungwan N, Namuangruk S. Metal cluster-deposited graphene as an adsorptive material for m-xylene New Journal of Chemistry. 39: 9650-9658. DOI: 10.1039/C5Nj01975C |
0.305 |
|
| 2015 |
Surakhot Y, Rattanawan R, Ronyhut K, Mangsachart P, Sudyoadsuk T, Promarak V, Namuangruk S, Kungwan N, Jungsuttiwong S. The number density effect of N-substituted dyes on the TiO2 surface in dye sensitized solar cells: A theoretical study Rsc Advances. 5: 11549-11557. DOI: 10.1039/C4Ra15645E |
0.353 |
|
| 2015 |
Daengngern R, Kungwan N. Electronic and photophysical properties of 2-(2′-hydroxyphenyl)benzoxazole and its derivatives enhancing in the excited-state intramolecular proton transfer processes: A TD-DFT study on substitution effect Journal of Luminescence. 167: 132-139. DOI: 10.1016/J.Jlumin.2015.06.001 |
0.336 |
|
| 2015 |
Chitpakdee C, Namuangruk S, Suttisintong K, Jungsuttiwong S, Keawin T, Sudyoadsuk T, Sirithip K, Promarak V, Kungwan N. Effects of π-linker, anchoring group and capped carbazole at meso-substituted zinc-porphyrins on conversion efficiency of DSSCs Dyes and Pigments. 118: 64-75. DOI: 10.1016/J.Dyepig.2015.03.002 |
0.328 |
|
| 2015 |
Ngaojampa C, Namuangruk S, Surakhot Y, Promarak V, Jungsuttiwong S, Kungwan N. Influence of phenyl-attached substituents on the vibrational and electronic spectra of meso-tetraphenylporphyrin: A DFT study Computational and Theoretical Chemistry. 1062: 1-10. DOI: 10.1016/J.Comptc.2015.03.009 |
0.346 |
|
| 2015 |
Sattayanon C, Sontising W, Limwanich W, Meepowpan P, Punyodom W, Kungwan N. Effects of alkoxide alteration on the ring-opening polymerization of ε-caprolactone initiated by n-Bu3SnOR: A DFT study Structural Chemistry. 26: 695-703. DOI: 10.1007/S11224-014-0527-Y |
0.371 |
|
| 2015 |
Limwanich W, Meepowpan P, Nalampang K, Kungwan N, Molloy R, Punyodom W. Kinetics and thermodynamics analysis for ring-opening polymerization of ε-caprolactone initiated by tributyltin n-butoxide using differential scanning calorimetry Journal of Thermal Analysis and Calorimetry. 119: 567-579. DOI: 10.1007/S10973-014-4111-X |
0.315 |
|
| 2014 |
Nutho B, Khuntawee W, Rungnim C, Pongsawasdi P, Wolschann P, Karpfen A, Kungwan N, Rungrotmongkol T. Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes. Beilstein Journal of Organic Chemistry. 10: 2789-99. PMID 25550745 DOI: 10.3762/Bjoc.10.296 |
0.335 |
|
| 2014 |
Tarsang R, Promarak V, Sudyoadsuk T, Namuangruk S, Kungwan N, Jungsuttiwong S. Modification of D-A-π-A configuration toward a high-performance triphenylamine-based sensitizer for dye-sensitized solar cells: a theoretical investigation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 3809-18. PMID 25270592 DOI: 10.1002/Cphc.201402458 |
0.323 |
|
| 2014 |
Namuangruk S, Sirithip K, Rattanatwan R, Keawin T, Kungwan N, Sudyodsuk T, Promarak V, Surakhot Y, Jungsuttiwong S. Theoretical investigation of the charge-transfer properties in different meso-linked zinc porphyrins for highly efficient dye-sensitized solar cells. Dalton Transactions (Cambridge, England : 2003). 43: 9166-76. PMID 24810141 DOI: 10.1039/C4Dt00665H |
0.34 |
|
| 2014 |
Insuwan W, Rangsriwatananon K, Meeprasert J, Namuangruk S, Surakhot Y, Kungwan N, Jungsuttiwong S. Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer forming Microporous and Mesoporous Materials. 197: 348-357. DOI: 10.1016/J.Micromeso.2014.07.004 |
0.34 |
|
| 2014 |
Meeprasert J, Kungwan N, Jungsuttiwong S, Namuangruk S. Location and reactivity of extra-framework cation in the alkali exchanged LTL zeolites: A periodic density functional study Microporous and Mesoporous Materials. 195: 227-239. DOI: 10.1016/J.Micromeso.2014.04.038 |
0.327 |
|
| 2014 |
Daengngern R, Kungwan N. Dynamics simulations of photoinduced proton transfer reactions of 2-(2′-hydroxyphenyl)benzoxazole in the gas phase and its hydrated clusters Chemical Physics Letters. 609: 147-154. DOI: 10.1016/J.Cplett.2014.06.041 |
0.358 |
|
| 2014 |
Sattayanon C, Sontising W, Jitonnom J, Meepowpan P, Punyodom W, Kungwan N. Theoretical study on the mechanism and kinetics of ring-opening polymerization of cyclic esters initiated by tin(II) n-butoxide Computational and Theoretical Chemistry. 1044: 29-35. DOI: 10.1016/J.Comptc.2014.06.008 |
0.366 |
|
| 2014 |
Namuangruk S, Meeprasert J, Jungsuttiwong S, Promarak V, Kungwan N. Organic sensitizers with modified di(thiophen-2-yl)phenylamine donor units for dye-sensitized solar cells: a computational study Theoretical Chemistry Accounts. 133: 1-15. DOI: 10.1007/S00214-014-1534-1 |
0.348 |
|
| 2014 |
Kungwan N, Khongpracha P, Namuangruk S, Meeprasert J, Chitpakdee C, Jungsuttiwong S, Promarak V. Theoretical study of linker-type effect in carbazole–carbazole-based dyes on performances of dye-sensitized solar cells Theoretical Chemistry Accounts. 133: 1-14. DOI: 10.1007/S00214-014-1523-4 |
0.372 |
|
| 2014 |
Kungwan N, Kerdpol K, Daengngern R, Hannongbua S, Barbatti M. Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h2o)1-5 clusters in the gas phase Theoretical Chemistry Accounts. 133: 1-11. DOI: 10.1007/S00214-014-1480-Y |
0.346 |
|
| 2013 |
Sattayanon C, Kungwan N, Punyodom W, Meepowpan P, Jungsuttiwong S. Theoretical investigation on the mechanism and kinetics of the ring-opening polymerization of ε-caprolactone initiated by tin(II) alkoxides. Journal of Molecular Modeling. 19: 5377-85. PMID 24173613 DOI: 10.1007/S00894-013-2026-2 |
0.37 |
|
| 2013 |
Daengngern R, Kerdpol K, Kungwan N, Hannongbua S, Barbatti M. Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol Journal of Photochemistry and Photobiology a: Chemistry. 266: 28-36. DOI: 10.1016/J.Jphotochem.2013.05.012 |
0.354 |
|
| 2013 |
Piansawan T, Kungwan N, Jungsuttiwong S. Application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of alkanes by atomic chlorine Computational and Theoretical Chemistry. 1011: 65-74. DOI: 10.1016/J.Comptc.2013.02.010 |
0.35 |
|
| 2013 |
Kungwan N, Daengngern R, Piansawan T, Hannongbua S, Barbatti M. Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanol Theoretical Chemistry Accounts. 132: 1-10. DOI: 10.1007/S00214-013-1397-X |
0.363 |
|
| 2012 |
Jungsuttiwong S, Yakhanthip T, Surakhot Y, Khunchalee J, Sudyoadsuk T, Promarak V, Kungwan N, Namuangruk S. The effect of conjugated spacer on novel carbazole derivatives for dye-sensitized solar cells: density functional theory/time-dependent density functional theory study. Journal of Computational Chemistry. 33: 1517-23. PMID 22505327 DOI: 10.1002/Jcc.22983 |
0.376 |
|
| 2012 |
Kungwan N, Plasser F, Aquino AJ, Barbatti M, Wolschann P, Lischka H. The effect of hydrogen bonding on the excited-state proton transfer in 2-(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. 14: 9016-25. PMID 22495201 DOI: 10.1039/C2Cp23905A |
0.348 |
|
| 2011 |
Daengngern R, Kungwan N, Wolschann P, Aquino AJ, Lischka H, Barbatti M. Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH)(n) (n = 1-3) clusters in the gas phase: on-the-fly dynamics simulation. The Journal of Physical Chemistry. A. 115: 14129-36. PMID 22026497 DOI: 10.1021/Jp2059936 |
0.364 |
|
| 2011 |
Yakhanthip T, Jungsuttiwong S, Namuangruk S, Kungwan N, Promarak V, Sudyoadsuk T, Kochpradist P. Theoretical investigation of novel carbazole-fluorene based D-π-A conjugated organic dyes as dye-sensitizer in dye-sensitized solar cells (DSCs). Journal of Computational Chemistry. 32: 1568-76. PMID 21284006 DOI: 10.1002/Jcc.21735 |
0.366 |
|
| 2011 |
Kungwan N, Yakhanthip T, Jitonnom J, Anuragudom P, Jungsuttiwong S, Hannongbua S. Theoretical investigation on the electronic and optical properties of poly(fluorenevinylene) derivatives as light-emitting materials International Journal of Photoenergy. 2011. DOI: 10.1155/2011/570103 |
0.342 |
|
| 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 |
0.612 |
|
| 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. |
0.637 |
|
| 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+ |
0.463 |
|
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