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    • ปร.ด. เคมี, มหาวิทยาลัยเกษตรศาสตร์, ไทย

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    AB-INITIOACIDIC MORDENITEActivation barriersActivation energyActive speciesadenineadenine : thymine base pair (A : T)AdsorptionAdsorption energiesADSORPTION PROPERTIESADSORPTION-ISOTHERMSalcoholsalkenesAnthraceneAromatic speciesBack-donationBetaBeta zeoliteBiofuelsbiomassBIOSENSORBN-dopedBONDButanolcalculationsCarbazoleCarbocationscarbon nanotubeCarbon nanotubesCATALYSISCatalyst activityCatalytic conversionCatalytic oxidationCatalytic processcharge separationCharge transferCOCO catalytic oxidationCo oxidationCO2 cycloadditionCoatingsComplexationCondensation reactionsConfinement effectsConsecutive reactionCu-ZSM-5 zeoliteCycloadditiondecarbonylationDecompositionDefected CNTsDehydrogenationdensitydensity functional calculationsDensity functional theories (DFT)Density functional theorydensity functional theory (DFT)Density functionalsDENSITY-FUNCTIONAL THEORYDeoxygenationDESIGNDFTDFT calculationsDIELS-ALDER REACTIONSDIMETHYL CARBONATEDimethylnaphthaleneDNADNA sensorDouble donorD-pi-ADRT calculationsDye-sensitized solar cellsEconomical Costselectron hopping processElectron transitionselectron-hole charge recombinationELECTRONIC-STRUCTUREElectronwithdrawingEMBEDDED ONIOMEMBEDDED-CLUSTERencapsulationFluidicsformaldehydeGrapheneIsomerizationIsomersmetal-organic frameworksMukaiyama aldol reactionNanotechnologyNaphthalenenitrous oxideRate determining stepReaction mechanismRenewable energy resourceszeolitezeolitesการจำลองแบบทางเคมีคอมพิวเตอร์ซีเมนต์ตัวเร่งปฏิกิริยานาโนนาโนเมตร

    Interest


    Administrative Profile


      Resource

      • จำนวนหน่วยปฏิบัติการที่เข้าร่วม 0 หน่วย
      • จำนวนเครื่องมือวิจัย 0 ชิ้น

      งานวิจัยในรอบ 5 ปี

      Project

      งานวิจัยที่อยู่ระหว่างการดำเนินการ
      • ทุนใน 3 โครงการ (ผู้ร่วมวิจัย 3 โครงการ)
      • ทุนนอก 0 โครงการ
      งานวิจัยที่เสร็จสิ้นแล้ว
      • ทุนใน 2 โครงการ (ผู้ร่วมวิจัย 2 โครงการ)
      • ทุนนอก 6 โครงการ (หัวหน้าโครงการ 1 โครงการ, ผู้ร่วมวิจัย 5 โครงการ)

      แนวโน้มผลงานทั้งหมดเทียบกับแนวโน้มผลงานในรอบ 5 ปี

      Output

      • บทความ 53 เรื่อง (ตีพิมพ์ในวารสารวิชาการ 38 เรื่อง, นำเสนอในการประชุม/สัมมนา 15 เรื่อง)

      แนวโน้มการนำผลงานไปใช้ประโยชน์ในด้านต่างๆ

      Outcome

      • การนำผลงานไปใช้ประโยชน์ 0 เรื่อง (เชิงวิชาการ 0 เรื่อง, เชิงนโยบาย/บริหาร 0 เรื่อง, เชิงสาธารณะ 0 เรื่อง, เชิงพาณิชย์ 0 เรื่อง)

      รางวัลที่ได้รับ

      Award

      • รางวัลที่ได้รับ 4 เรื่อง (ประกาศเกียรติคุณ/รางวัลนักวิจัย 1 เรื่อง, รางวัลผลงานวิจัย/สิ่งประดิษฐ์ 3 เรื่อง, รางวัลผลงานนำเสนอในการประชุมวิชาการ 0 เรื่อง)


      Scopus h-index

      #Document titleAuthorsYearSourceCited by
      1Reaction mechanisms for CO catalytic oxidation by N 2O on Fe-embedded grapheneWannakao S., Nongnual T., Khongpracha P., Maihom T., Limtrakul J.2012Journal of Physical Chemistry C
      116(32),pp. 16992-16998
      109
      2Theoretical study on novel double donor-based dyes used in high efficient dye-sensitized solar cells: The application of TDDFT study to the electron injection processJungsuttiwong S., Tarsang R., Sudyoadsuk T., Promarak V., Khongpracha P., Namuangruk S.2013Organic Electronics
      14(3),pp. 711-722
      83
      3Gas sensing properties of platinum derivatives of single-walled carbon nanotubes: A DFT analysisPannopard P., Pannopard P., Khongpracha P., Khongpracha P., Probst M., Limtrakul J., Limtrakul J.2009Journal of Molecular Graphics and Modelling
      28(1),pp. 62-69
      81
      4Effects 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 schemeBoekfa B., Boekfa B., Choomwattana S., Choomwattana S., Khongpracha P., Khongpracha P., Limtrakul J., Limtrakul J.2009Langmuir
      25(22),pp. 12990-12999
      75
      5Adsorption of unsaturated hydrocarbons on zeolites: The effects of the zeolite framework on adsorption properties of ethyleneLimtrakul J., Nanok T., Jungsuttiwong S., Khongpracha P., Truong T.2001Chemical Physics Letters
      349(1-2),pp. 161-166
      63
      6Mechanistic investigation on 1,5- to 2,6-dimethylnaphthalene isomerization catalyzed by acidic β zeolite: ONIOM study with an M06-L functionalKumsapaya C., Bobuatong K., Khongpracha P., Tantirungrotechai Y., Limtrakul J.2009Journal of Physical Chemistry C
      113(36),pp. 16128-16137
      53
      7Structures and mechanisms of the carbonyl-ene reaction between MOF-11 encapsulated formaldehyde and propylene: An ONIOM studyChoomwattana S., Maihom T., Khongpracha P., Probst M., Limtrakul J.2008Journal of Physical Chemistry C
      112(29),pp. 10855-10861
      48
      8Adsorption of carbon monoxide in H-ZSM-5 and Li-ZSM-5 zeolites: An embedded ab initio cluster studyLimtrakul J., Khongpracha P., Jungsuttiwong S., Truong T.N.2000Journal of Molecular Catalysis A: Chemical
      153(1-2),pp. 155-163
      46
      9Structures and reaction mechanisms of propene oxide isomerization on H-ZSM-5: An ONIOM studyNamuangruk S., Khongpracha P., Pantu P., Limtrakul J.2006Journal of Physical Chemistry B
      110(51),pp. 25950-25957
      45
      10Mechanistic studies on the transformation of ethanol into ethene over Fe-ZSM-5 zeoliteMaihom T., Khongpracha P., Sirijaraensre J., Limtrakul J.2013ChemPhysChem
      14(1),pp. 101-107
      41
      11Direct oxidation of methane to methanol on Fe-O modified grapheneImpeng S., Khongpracha P., Warakulwit C., Jansang B., Sirijaraensre J., Ehara M., Limtrakul J., Limtrakul J.2014RSC Advances
      4(24),pp. 12572-12578
      40
      12Adsorption of carbon monoxide on H-FAU and LI-FAU zeolites: An embedded cluster approachLimtrakul J., Jungsuttiwong S., Khongpracha P.2000Journal of Molecular Structure
      525(1-3),pp. 153-162
      39
      13Deoxygenation of oleic acid under an inert atmosphere using molybdenum oxide-based catalystsKrobkrong N., Krobkrong N., Itthibenchapong V., Khongpracha P., Faungnawakij K.2018Energy Conversion and Management
      167,pp. 1-8
      35
      14Oxidative Dehydrogenation of Propane over a VO2-Exchanged MCM-22 Zeolite: A DFT StudyWannakao S., Boekfa B., Khongpracha P., Probst M., Limtrakul J.2010ChemPhysChem
      11(16),pp. 3432-3438
      33
      15Density functional theory study of the carbonyl-ene reaction of encapsulated formaldehyde in Cu(I), Ag(I), and Au(I) exchanged FAU zeolitesWannakao S., Khongpracha P., Limtrakul J.2011Journal of Physical Chemistry A
      115(45),pp. 12486-12492
      31
      16Triple bond-modified anthracene sensitizers for dye-sensitized solar cells: A computational studyTarsang R., Promarak V., Sudyoadsuk T., Namuangruk S., Kungwan N., Khongpracha P., Jungsuttiwong S.2015RSC Advances
      5(48),pp. 38130-38140
      24
      17Comparison of Cu-ZSM-5 zeolites and Cu-MOF-505 metal-organic frameworks as heterogeneous catalysts for the Mukaiyama aldol reaction: A DFT mechanistic studyYadnum S., Yadnum S., Choomwattana S., Choomwattana S., Khongpracha P., Khongpracha P., Sirijaraensre J., Sirijaraensre J., Limtrakul J., Limtrakul J.2013ChemPhysChem
      14(5),pp. 923-928
      23
      18Density functional calculations of structural and electronic properties of a BN-doped carbon nanotubeKrainara N., Krainara N., Nokbin S., Nokbin S., Khongpracha P., Khongpracha P., Bopp P., Limtrakul J., Limtrakul J.2010Carbon
      48(1),pp. 176-183
      23
      19Methane activation on Fe- and FeO-embedded graphene and boron nitride sheet: Role of atomic defects in catalytic activitiesImpeng S., Impeng S., Khongpracha P., Sirijaraensre J., Jansang B., Ehara M., Limtrakul J.2015RSC Advances
      5(119),pp. 97918-97927
      22
      20Theoretical studies on electronic structures and photophysical properties of anthracene derivatives as hole-transporting materials for OLEDsChitpakdee C., Namuangruk S., Khongpracha P., Jungsuttiwong S., Tarsang R., Sudyoadsuk T., Promarak V.2014Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
      125,pp. 36-45
      21
      21Formaldehyde encapsulated in lithium-decorated metal-organic frameworks: A density functional theory studyMaihom T., Choomwattana S., Khongpracha P., Probst M., Limtrakul J.2012ChemPhysChem
      13(1),pp. 245-249
      18
      22Theoretical study of linker-type effect in carbazole–carbazole-based dyes on performances of dye-sensitized solar cellsKungwan N., Khongpracha P., Namuangruk S., Meeprasert J., Chitpakdee C., Jungsuttiwong S., Promarak V.2014Theoretical Chemistry Accounts
      133(8),pp. 1-14
      16
      23Reaction mechanism of methanol to formaldehyde over Fe- and FeO-modified grapheneThivasasith A., Sirijaraensre J., Khongpracha P., Warakulwit C., Jansang B., Limtrakul J., Limtrakul J.2015ChemPhysChem
      16(5),pp. 986-992
      13
      24Structures, energetics and reaction mechanisms of nitrous oxide on transition-metal-doped and -undoped single-wall carbon nanotubesPannopard P., Khongpracha P., Warakulwit C., Namuangruk S., Probst M., Limtrakul J.2012ChemPhysChem
      13(2),pp. 583-587
      13
      25Decomposition of nitrous oxide on carbon nanotubesNamuangruk S., Namuangruk S., Khongpracha P., Khongpracha P., Tantirungrotechai Y., Limtrakul J., Limtrakul J.2007Journal of Molecular Graphics and Modelling
      26(1),pp. 179-186
      13
      26Mechanistic insights into CO 2 cycloaddition to propylene oxide over a single copper atom incorporated graphene-based materials: A theoretical studySirijaraensre J., Khongpracha P., Limtrakul J.2019Applied Surface Science
      470,pp. 755-763
      10
      27Structure and electronic properties of "DNA-gold-nanotube" systems: A quantum chemical analysisPannopard P., Pannopard P., Khongpracha P., Khongpracha P., Probst M., Limtrakul J., Limtrakul J.2008Journal of Molecular Graphics and Modelling
      26(7),pp. 1066-1075
      8
      28A theoretical study of adsorption of carbon monoxide on Ag-ZSM-5 zeoliteJungsuttiwong S., Khongpracha P., Truong T., Limtrakul J.2001Studies in Surface Science and Catalysis
      135,pp. 257
      6
      29Density functional theory evidence for an electron hopping process in single-walled carbon nanotube-mediated redox reactionsNongnual T., Nongnual T., Nokbin S., Nokbin S., Khongpracha P., Khongpracha P., Bopp P.A., Limtrakul J., Limtrakul J.2010Carbon
      48(5),pp. 1524-1530
      4
      30Diels-Alder cycloadditions of single-wall carbon nanotubes with electron-rich dienes: A theoretical studyWarakulwit C., Bamrungsap S., Luksirikul P., Khongpracha P., Limtrakul J.2005Studies in Surface Science and Catalysis
      156,pp. 823-828
      4
      31Conduction properties of BN-doped fullerene chain obtained by density functional theory calculationsKrainara N., Nokbin S., Luksirikul P., Sirijaraensre J., Meemanvit R., Khongpracha P., Pantu P., Limtrakul J.20072007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings
      1,pp. 508-511
      2
      32Theoretical studies on the ozonization at the capped-end of a single-walled carbon nanotube: The effect of the finite lengthSawangphruk M., Sirijaraensre J., Nokbin S., Khongpracha P., Pantu P., Limtrakul J.20072007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings
      1,pp. 442-445
      0
      33Structure and electronic properties of "DNA-gold-nanotube" systems: A quantum chemical analysisPannopard P., Sirijaraensre J., Nokbin S., Khongpracha P., Limtrakul J.20072007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings
      1,pp. 446-449
      0
      34Oxidation of carbon monoxide by nitrous oxide decomposition on Fe-embedded grapheneWannakao S., Wannakao S., Maihom T., Maihom T., Khongpracha P., Khongpracha P., Boekfa B., Boekfa B., Limtrakul J., Limtrakul J.2011ACS National Meeting Book of Abstracts
      0
      35Structures and reaction mechanisms of ethylene oxide hydration over H-ZSM-5: An embedded ONIOM approachMaihom T., Namuangruk S., Khongpracha P., Nanok T., Limtrakul J.2008ACS National Meeting Book of Abstracts
      0
      36Quantum chemical analysis of reaction paths in carbonyl-ene reaction between formaldehyde and propene catalyzed with metal-organic framework MOF-11Choomwattana S., Maihom T., Khongpracha P., Probst M., Limtrakul J.2008ACS National Meeting Book of Abstracts
      0
      37Quantum effect on the reaction mechanism of propene oxide isomerization in H-ITQ-22: A DFT investigationTheanngern K., Theanngern K., Boekfa B., Boekfa B., Khongpracha P., Khongpracha P., Limtrakul J., Limtrakul J.2011ACS National Meeting Book of Abstracts
      0
      38Mechanism of MOF-505 and Cu-ZSM-5 promoted Mukaiyama aldol reaction: An ONIOM studyYadnum S., Choomwattana S., Khongpracha P., Limtrakul J.2009Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009
      3,pp. 308-311
      0
      39A mechanistic investigation on 1,5- to 2,6-dimethylnaphthalene isomerization catalyzed by acidic beta zeolite: An ONIOM study with a newly developed density functional theoryKumsapaya C., Bobuatong K., Choomwattana S., Khongpracha P., Tantirungrotechai Y., Limtrakul J.2009Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009
      3,pp. 276-279
      0
      40Electron hopping process in SWCNT-mediated redox reaction: An evidence observed by DFT theoryNongnual T., Choomwattana S., Nokbin S., Khongpracha P., Limtrakul J.2009Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009
      3,pp. 439-442
      0
      41Theoretical study of the oxidative dehydrogenation of ethylbenzene to styrene over Fe-ZSM-5Namuangruk S., Namuangruk S., Khongpracha P., Khongpracha P., Limtrakul J., Limtrakul J.2011ACS National Meeting Book of Abstracts
      0
      42Density functional theory study of possible mechanisms of isooctene formation via isobutene dimerization over acidic beta zeoliteSingra P., Kongpatpanich K., Khongpracha P., Limtrakul J.2011ACS National Meeting Book of Abstracts
      0
      43Activities of Au and Au2 cation-exchanged zeolite for methane C-H bond activation: A DFT studyWannakao S., Kongpatpanich K., Khongpracha P., Limtrakul J.2011ACS National Meeting Book of Abstracts
      0