| # | Document title | Authors | Year | Source | Cited by |
| 1 | Reaction mechanisms for CO catalytic oxidation by N 2O on Fe-embedded graphene | Wannakao S., Nongnual T., Khongpracha P., Maihom T., Limtrakul J. | 2012 | Journal of Physical Chemistry C,
116(32), pp. 16992-16998 | 124 |
| 2 | Theoretical study on novel double donor-based dyes used in high efficient dye-sensitized solar cells: The application of TDDFT study to the electron injection process | Jungsuttiwong S., Tarsang R., Sudyoadsuk T., Promarak V., Khongpracha P., Namuangruk S. | 2013 | Organic Electronics,
14(3), pp. 711-722 | 117 |
| 3 | Gas sensing properties of platinum derivatives of single-walled carbon nanotubes: A DFT analysis | Pannopard P., Pannopard P., Khongpracha P., Khongpracha P., Probst M., Limtrakul J., Limtrakul J. | 2009 | Journal of Molecular Graphics and Modelling,
28(1), pp. 62-69 | 103 |
| 4 | Deoxygenation of oleic acid under an inert atmosphere using molybdenum oxide-based catalysts | Krobkrong N., Krobkrong N., Itthibenchapong V., Khongpracha P., Faungnawakij K. | 2018 | Energy Conversion and Management,
167, pp. 1-8 | 98 |
| 5 | Effects of the zeolite framework on the adsorptions and hydrogen-exchange reactions of unsaturated aliphatic, aromatic, and heterocyclic compounds in ZSM-5 zeolite: A combination of perturbation theory (MP2) and a newly developed density functional theory (M06-2X) in ONIOM scheme | Boekfa B., Boekfa B., Choomwattana S., Choomwattana S., Khongpracha P., Khongpracha P., Limtrakul J., Limtrakul J. | 2009 | Langmuir,
25(22), pp. 12990-12999 | 80 |
| 6 | Adsorption of unsaturated hydrocarbons on zeolites: The effects of the zeolite framework on adsorption properties of ethylene | Limtrakul J., Nanok T., Jungsuttiwong S., Khongpracha P., Truong T. | 2001 | Chemical Physics Letters,
349(1-2), pp. 161-166 | 71 |
| 7 | Mechanistic investigation on 1,5- to 2,6-dimethylnaphthalene isomerization catalyzed by acidic β zeolite: ONIOM study with an M06-L functional | Kumsapaya C., Bobuatong K., Khongpracha P., Tantirungrotechai Y., Limtrakul J. | 2009 | Journal of Physical Chemistry C,
113(36), pp. 16128-16137 | 59 |
| 8 | Structures and mechanisms of the carbonyl-ene reaction between MOF-11 encapsulated formaldehyde and propylene: An ONIOM study | Choomwattana S., Maihom T., Khongpracha P., Probst M., Limtrakul J. | 2008 | Journal of Physical Chemistry C,
112(29), pp. 10855-10861 | 54 |
| 9 | Direct oxidation of methane to methanol on Fe-O modified graphene | Impeng S., Khongpracha P., Warakulwit C., Jansang B., Sirijaraensre J., Ehara M., Limtrakul J., Limtrakul J. | 2014 | RSC Advances,
4(24), pp. 12572-12578 | 54 |
| 10 | Mechanistic studies on the transformation of ethanol into ethene over Fe-ZSM-5 zeolite | Maihom T., Khongpracha P., Sirijaraensre J., Limtrakul J. | 2013 | ChemPhysChem,
14(1), pp. 101-107 | 50 |
| 11 | Structures and reaction mechanisms of propene oxide isomerization on H-ZSM-5: An ONIOM study | Namuangruk S., Khongpracha P., Pantu P., Limtrakul J. | 2006 | Journal of Physical Chemistry B,
110(51), pp. 25950-25957 | 49 |
| 12 | Adsorption of carbon monoxide in H-ZSM-5 and Li-ZSM-5 zeolites: An embedded ab initio cluster study | Limtrakul J., Khongpracha P., Jungsuttiwong S., Truong T.N. | 2000 | Journal of Molecular Catalysis A: Chemical,
153(1-2), pp. 155-163 | 46 |
| 13 | Methane activation on Fe- and FeO-embedded graphene and boron nitride sheet: Role of atomic defects in catalytic activities | Impeng S., Impeng S., Khongpracha P., Sirijaraensre J., Jansang B., Ehara M., Limtrakul J. | 2015 | RSC Advances,
5(119), pp. 97918-97927 | 42 |
| 14 | Adsorption of carbon monoxide on H-FAU and LI-FAU zeolites: An embedded cluster approach | Limtrakul J., Jungsuttiwong S., Khongpracha P. | 2000 | Journal of Molecular Structure,
525(1-3), pp. 153-162 | 41 |
| 15 | Density functional theory study of the carbonyl-ene reaction of encapsulated formaldehyde in Cu(I), Ag(I), and Au(I) exchanged FAU zeolites | Wannakao S., Khongpracha P., Limtrakul J. | 2011 | Journal of Physical Chemistry A,
115(45), pp. 12486-12492 | 41 |
| 16 | Triple bond-modified anthracene sensitizers for dye-sensitized solar cells: A computational study | Tarsang R., Promarak V., Sudyoadsuk T., Namuangruk S., Kungwan N., Khongpracha P., Jungsuttiwong S. | 2015 | RSC Advances,
5(48), pp. 38130-38140 | 39 |
| 17 | Oxidative Dehydrogenation of Propane over a VO2-Exchanged MCM-22 Zeolite: A DFT Study | Wannakao S., Boekfa B., Khongpracha P., Probst M., Limtrakul J. | 2010 | ChemPhysChem,
11(16), pp. 3432-3438 | 38 |
| 18 | Theoretical studies on electronic structures and photophysical properties of anthracene derivatives as hole-transporting materials for OLEDs | Chitpakdee C., Namuangruk S., Khongpracha P., Jungsuttiwong S., Tarsang R., Sudyoadsuk T., Promarak V. | 2014 | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy,
125, pp. 36-45 | 37 |
| 19 | Comparison of Cu-ZSM-5 zeolites and Cu-MOF-505 metal-organic frameworks as heterogeneous catalysts for the Mukaiyama aldol reaction: A DFT mechanistic study | Yadnum S., Yadnum S., Choomwattana S., Choomwattana S., Khongpracha P., Khongpracha P., Sirijaraensre J., Sirijaraensre J., Limtrakul J., Limtrakul J. | 2013 | ChemPhysChem,
14(5), pp. 923-928 | 35 |
| 20 | Mechanistic insights into CO 2 cycloaddition to propylene oxide over a single copper atom incorporated graphene-based materials: A theoretical study | Sirijaraensre J., Khongpracha P., Limtrakul J. | 2019 | Applied Surface Science,
470, pp. 755-763 | 25 |
| 21 | Density functional calculations of structural and electronic properties of a BN-doped carbon nanotube | Krainara N., Krainara N., Nokbin S., Nokbin S., Khongpracha P., Khongpracha P., Bopp P., Limtrakul J., Limtrakul J. | 2010 | Carbon,
48(1), pp. 176-183 | 23 |
| 22 | Theoretical study of linker-type effect in carbazole–carbazole-based dyes on performances of dye-sensitized solar cells | Kungwan N., Khongpracha P., Namuangruk S., Meeprasert J., Chitpakdee C., Jungsuttiwong S., Promarak V. | 2014 | Theoretical Chemistry Accounts,
133(8), pp. 1-14, 1523 | 21 |
| 23 | Formaldehyde encapsulated in lithium-decorated metal-organic frameworks: A density functional theory study | Maihom T., Choomwattana S., Khongpracha P., Probst M., Limtrakul J. | 2012 | ChemPhysChem,
13(1), pp. 245-249 | 18 |
| 24 | Decomposition of nitrous oxide on carbon nanotubes | Namuangruk S., Namuangruk S., Khongpracha P., Khongpracha P., Tantirungrotechai Y., Limtrakul J., Limtrakul J. | 2007 | Journal of Molecular Graphics and Modelling,
26(1), pp. 179-186 | 17 |
| 25 | Structures, energetics and reaction mechanisms of nitrous oxide on transition-metal-doped and -undoped single-wall carbon nanotubes | Pannopard P., Khongpracha P., Warakulwit C., Namuangruk S., Probst M., Limtrakul J. | 2012 | ChemPhysChem,
13(2), pp. 583-587 | 16 |
| 26 | Reaction mechanism of methanol to formaldehyde over Fe- and FeO-modified graphene | Thivasasith A., Sirijaraensre J., Khongpracha P., Warakulwit C., Jansang B., Limtrakul J., Limtrakul J. | 2015 | ChemPhysChem,
16(5), pp. 986-992 | 16 |
| 27 | Structure and electronic properties of "DNA-gold-nanotube" systems: A quantum chemical analysis | Pannopard P., Pannopard P., Khongpracha P., Khongpracha P., Probst M., Limtrakul J., Limtrakul J. | 2008 | Journal of Molecular Graphics and Modelling,
26(7), pp. 1066-1075 | 9 |
| 28 | The interaction of a gold atom with carbon nanohorn and carbon nanotube tips and their complexes with a CO molecule: A first principle calculation | Khongpracha P., Probst M., Limtrakul J. | 2008 | European Physical Journal D,
48(2), pp. 211-219 | 8 |
| 29 | A theoretical study of adsorption of carbon monoxide on Ag-ZSM-5 zeolite | Jungsuttiwong S., Khongpracha P., Truong T., Limtrakul J. | 2001 | Studies in Surface Science and Catalysis,
135, pp. 257 | 5 |
| 30 | Density functional theory evidence for an electron hopping process in single-walled carbon nanotube-mediated redox reactions | Nongnual T., Nongnual T., Nokbin S., Nokbin S., Khongpracha P., Khongpracha P., Bopp P.A., Limtrakul J., Limtrakul J. | 2010 | Carbon,
48(5), pp. 1524-1530 | 5 |
| 31 | Diels-Alder cycloadditions of single-wall carbon nanotubes with electron-rich dienes: A theoretical study | Warakulwit C., Bamrungsap S., Luksirikul P., Khongpracha P., Limtrakul J. | 2005 | Studies in Surface Science and Catalysis,
156, pp. 823-828 | 4 |
| 32 | Conduction properties of BN-doped fullerene chain obtained by density functional theory calculations | Krainara N., Nokbin S., Luksirikul P., Sirijaraensre J., Meemanvit R., Khongpracha P., Pantu P., Limtrakul J. | 2007 | 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings,
1, pp. 508-511 | 2 |
| 33 | Theoretical studies on the ozonization at the capped-end of a single-walled carbon nanotube: The effect of the finite length | Sawangphruk M., Sirijaraensre J., Nokbin S., Khongpracha P., Pantu P., Limtrakul J. | 2007 | 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings,
1, pp. 442-445 | 0 |
| 34 | Structure and electronic properties of "DNA-gold-nanotube" systems: A quantum chemical analysis | Pannopard P., Sirijaraensre J., Nokbin S., Khongpracha P., Limtrakul J. | 2007 | 2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings,
1, pp. 446-449 | 0 |
| 35 | Oxidation of carbon monoxide by nitrous oxide decomposition on Fe-embedded graphene | Wannakao S., Wannakao S., Maihom T., Maihom T., Khongpracha P., Khongpracha P., Boekfa B., Boekfa B., Limtrakul J., Limtrakul J. | 2011 | ACS National Meeting Book of Abstracts | 0 |
| 36 | Structures and reaction mechanisms of ethylene oxide hydration over H-ZSM-5: An embedded ONIOM approach | Maihom T., Namuangruk S., Khongpracha P., Nanok T., Limtrakul J. | 2008 | ACS National Meeting Book of Abstracts | 0 |
| 37 | Quantum chemical analysis of reaction paths in carbonyl-ene reaction between formaldehyde and propene catalyzed with metal-organic framework MOF-11 | Choomwattana S., Maihom T., Khongpracha P., Probst M., Limtrakul J. | 2008 | ACS National Meeting Book of Abstracts | 0 |
| 38 | Quantum effect on the reaction mechanism of propene oxide isomerization in H-ITQ-22: A DFT investigation | Theanngern K., Theanngern K., Boekfa B., Boekfa B., Khongpracha P., Khongpracha P., Limtrakul J., Limtrakul J. | 2011 | ACS National Meeting Book of Abstracts | 0 |
| 39 | Mechanism of MOF-505 and Cu-ZSM-5 promoted Mukaiyama aldol reaction: An ONIOM study | Yadnum S., Choomwattana S., Khongpracha P., Limtrakul J. | 2009 | Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009,
3, pp. 308-311 | 0 |
| 40 | A mechanistic investigation on 1,5- to 2,6-dimethylnaphthalene isomerization catalyzed by acidic beta zeolite: An ONIOM study with a newly developed density functional theory | Kumsapaya C., Bobuatong K., Choomwattana S., Khongpracha P., Tantirungrotechai Y., Limtrakul J. | 2009 | Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009,
3, pp. 276-279 | 0 |
| 41 | Electron hopping process in SWCNT-mediated redox reaction: An evidence observed by DFT theory | Nongnual T., Choomwattana S., Nokbin S., Khongpracha P., Limtrakul J. | 2009 | Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009,
3, pp. 439-442 | 0 |
| 42 | Theoretical study of the oxidative dehydrogenation of ethylbenzene to styrene over Fe-ZSM-5 | Namuangruk S., Namuangruk S., Khongpracha P., Khongpracha P., Limtrakul J., Limtrakul J. | 2011 | ACS National Meeting Book of Abstracts | 0 |
| 43 | Density functional theory study of possible mechanisms of isooctene formation via isobutene dimerization over acidic beta zeolite | Singra P., Kongpatpanich K., Khongpracha P., Limtrakul J. | 2011 | ACS National Meeting Book of Abstracts | 0 |
| 44 | Activities of Au and Au2 cation-exchanged zeolite for methane C-H bond activation: A DFT study | Wannakao S., Kongpatpanich K., Khongpracha P., Limtrakul J. | 2011 | ACS National Meeting Book of Abstracts | 0 |
| 45 | EFFECTS OF MOLECULAR CHAIN COVERAGE AND MOLECULAR CHAIN LENGTH ON STRENGTH AND PACKING OF SURFACE COATING MATERIALS: DFT CALCULATIONS | Khongpracha P., Pongprayoon P., Prasittichai C., Nokbin S. | 2024 | Suranaree Journal of Science and Technology,
31(5), pp. 1-8, 030223 | 0 |