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Browsing by Author Yuthana Tantirungrotechai

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Showing results 1 to 14 of 14
Issue DateTitleAuthor(s)
15-Jan-2009Assessment of mixed basis set and ONIOM methods on the activation energy of ring opening reactions of substituted cyclobutenesYuthana Tantirungrotechai; Supacharee Roddecha; Kraiwan Punyain; Pisanu Toochinda; Mahidol University; Naresuan University; Sirindhorn International Institute of Technology, Thammasat University; Thailand National Science and Technology Development Agency
1-Mar-2009CoMFA and CoMSIA studies on a new series of xanthone derivatives against the oral human epidermoid carcinoma (KB) cancer cell lineKetthip Suphavanich; Phornphimon Maitarad; Supa Hannongbua; Pichit Sudta; Sunit Suksamrarn; Yuthana Tantirungrotechai; Jumras Limtrakul; Mahidol University; Kasetsart University; Srinakharinwirot University
5-Dec-2002Computational study of transmission function in p-phenylene sulfide and benzothiophene oligomersYuthana Tantirungrotechai; Atchara Wijitkosoom; Somsak Tonmunphean; Mahidol University; Chulalongkorn University
1-Jul-2007Decomposition of nitrous oxide on carbon nanotubesSupawadee Namuangruk; Pipat Khongpracha; Yuthana Tantirungrotechai; Jumras Limtrakul; Mahidol University; Kasetsart University
4-Mar-2016Density Functional Study of Nickel N-Heterocyclic Carbene Catalyzed C-O Bond Hydrogenolysis of Methyl Phenyl Ether: The Concerted β-H Transfer MechanismTaveechai Wititsuwannakul; Yuthana Tantirungrotechai; Panida Surawatanawong; Mahidol University; Thammasat University
1-Sep-2010A DFT investigation of methanolysis and hydrolysis of triacetinTaweetham Limpanuparb; Kraiwan Punyain; Yuthana Tantirungrotechai; Mahidol University; Naresuan University; Thailand National Science and Technology Development Agency
15-Feb-2000The dielectric virial coefficient and model intermolecular potentialsAnthony J. Stone; Yuthana Tantirungrotechai; A. David Buckingham; University of Cambridge; Mahidol University
25-Apr-2003Effect of an external electric field and a neighbouring atom on the torsional potential of glyoxal: A computational studyYuthana Tantirungrotechai; Mahidol University
1-May-2004Influence of stereoisomer of dispiro-1,2,4,5-tetraoxanes on their binding mode with heme and on antimalarial activity: Molecular docking studiesSomsak Tonmunphean; Atchara Wijitkosoom; Yuthana Tantirungrotechai; Chulalongkorn University; Mahidol University
1-Jan-2003Magnetizabilities of ring-structured molecules, [8]-cyclacene, [8]-BN-cyclacene and [8]-collarene, and their effect on<sup>3</sup>He nuclear shielding tensorSomsak Tonmunphean; Atchara Wijitkosoom; Yuthana Tantirungrotechai; Narin Nuttavut; Jumras Limtrakul; Chulalongkorn University; Mahidol University; Kasetsart University
28-Dec-2014Mechanism of Ni N-heterocyclic carbene catalyst for C-O bond hydrogenolysis of diphenyl ether: A density functional studyBoodsarin Sawatlon; Taveechai Wititsuwannakul; Yuthana Tantirungrotechai; Panida Surawatanawong; Mahidol University; Thammasat University
1-Jan-2002Proton shielding calculations in C<inf>6</inf>H<inf>6</inf>⋯H-CX<inf>3</inf>, X = H, F, Cl and Br, complexesYuthana Tantirungrotechai; Somsak Tonmunphean; Atchara Wijitkosoom; Mahidol University; Chulalongkorn University
1-Nov-2018Scale factors for carbonyl vibrational frequencies: A study of partial hessian approximationPisorn Sae-Heng; Jonggol Tantirungrotechai; Yuthana Tantirungrotechai; Mahidol University; Thammasat University
28-Feb-2006Scaling factors for vibrational frequencies and zero-point vibrational energies of some recently developed exchange-correlation functionalsYuthana Tantirungrotechai; Ketthip Phanasant; Supacharee Roddecha; Panida Surawatanawong; Vallaya Sutthikhum; Jumras Limtrakul; Mahidol University; Mahasarakham University; Kasetsart University