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Yuthana Tantirungrotechai, Ph.D. - Publications

Affiliations: 
Chemistry Mahidol University, Thailand, Tambon Salaya, Chang Wat Nakhon Pathom, Thailand 
 2010- Chemistry Thammasat University (Thailand) 
Area:
Computational Chemistry, Quantum Chemistry
Website:
https://sites.google.com/site/compchem403/home
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17 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Ketkaew R, Tantirungrotechai Y, Harding P, Chastanet G, Guionneau P, Marchivie M, Harding DJ. OctaDist: a tool for calculating distortion parameters in spin crossover and coordination complexes. Dalton Transactions (Cambridge, England : 2003). PMID 33367357 DOI: 10.1039/d0dt03988h  0.716
2019 Limpanuparb T, Noorat R, Tantirungrotechai Y. In silico investigation of mitragynine and 7-hydroxymitragynine metabolism. Bmc Research Notes. 12: 451. PMID 31331383 DOI: 10.1186/S13104-019-4461-3  0.624
2018 Boonprab T, Harding P, Murray KS, Phonsri W, Telfer SG, Alkaş A, Ketkaew R, Tantirungrotechai Y, Jameson GNL, Harding DJ. Solvatomorphism and anion effects in predominantly low spin iron(iii) Schiff base complexes. Dalton Transactions (Cambridge, England : 2003). PMID 30132766 DOI: 10.1039/C8Dt02016G  0.725
2018 Ketkaew R, Tantirungrotechai Y. Macromol. Theory Simul. 3/2018 Macromolecular Theory and Simulations. 27: 1870005. DOI: 10.1002/Mats.201870005  0.694
2018 Ketkaew R, Tantirungrotechai Y. Dissipative Particle Dynamics Study of SWCNT Reinforced Natural Rubber Composite System: An Important Role of Self-Avoiding Model on Mechanical Properties Macromolecular Theory and Simulations. 27: 1700093. DOI: 10.1002/Mats.201700093  0.701
2017 Vittaya L, Leesakul N, Saithong S, Phongpaichit S, Chumponanomakun P, Boonprab T, Chainok K, Tantirungrotechai Y. Synthesis, characterization, and biological studies of novel Ni(II) and Zn(II) complexes with 5-chloro-2-(phenylazo)pyridine Scienceasia. 43: 175. DOI: 10.2306/Scienceasia1513-1874.2017.43.175  0.586
2017 Bunchuay T, Ketkaew R, Chotmongkolsap P, Chutimasakul T, Kanarat J, Tantirungrotechai Y, Tantirungrotechai J. Microwave-assisted one-pot functionalization of metal–organic framework MIL-53(Al)-NH2 with copper(ii) complexes and its application in olefin oxidation Catalysis Science & Technology. 7: 6069-6079. DOI: 10.1039/C7CY01941F  0.74
2016 Wititsuwannakul T, Tantirungrotechai Y, Surawatanawong P. Density Functional Study of Nickel N-Heterocyclic Carbene Catalyzed C-O Bond Hydrogenolysis of Methyl Phenyl Ether: The Concerted β-H Transfer Mechanism Acs Catalysis. 6: 1477-1486. DOI: 10.1021/Acscatal.5B02058  0.657
2014 Sawatlon B, Wititsuwannakul T, Tantirungrotechai Y, Surawatanawong P. Mechanism of Ni N-heterocyclic carbene catalyst for C-O bond hydrogenolysis of diphenyl ether: a density functional study. Dalton Transactions (Cambridge, England : 2003). 43: 18123-33. PMID 25355042 DOI: 10.1039/C4Dt02374A  0.673
2010 Buntem R, Punyain K, Tantirungrotechai Y, Raithby PR, Lewis J. A Density Functional Theory Investigation on Intramolecular Hydrogen Transfer of the [Os3(CO)11P(OMe)3(Ru(η5-C5H5))2] Cluster Bulletin of the Korean Chemical Society. 31: 934-940. DOI: 10.5012/Bkcs.2010.31.04.934  0.328
2010 Limpanuparb T, Punyain K, Tantirungrotechai Y. A DFT investigation of methanolysis and hydrolysis of triacetin Journal of Molecular Structure: Theochem. 955: 23-32. DOI: 10.1016/J.Theochem.2010.05.022  0.65
2006 Tantirungrotechai Y, Phanasant K, Roddecha S, Surawatanawong P, Sutthikhum V, Limtrakul J. Scaling factors for vibrational frequencies and zero-point vibrational energies of some recently developed exchange-correlation functionals Journal of Molecular Structure: Theochem. 760: 189-192. DOI: 10.1016/J.Theochem.2005.12.007  0.615
2000 Stone AJ, Tantirungrotechai Y, Buckingham AD. The dielectric virial coefficient and model intermolecular potentials Physical Chemistry Chemical Physics. 2: 429-434. DOI: 10.1039/A905990C  0.459
1999 Buckingham A, Tantirungrotechai Y. The second dielectric virial coefficient of the dipolar Gay-Berne fluid Canadian Journal of Chemistry. 77: 1946-1950. DOI: 10.1139/cjc-77-11-1946  0.379
1999 BUCKINGHAM AD, TANTIRUNGROTECHAI Y. Predicting the proton shielding anisotropy in HF···CO2: a use of distributed magnetizabilities Molecular Physics. 96: 1225-1229. DOI: 10.1080/00268979909483067  0.39
1999 BUCKINGHAM AD, TANTIRUNGROTECHAI Y. An investigation of the change of the nuclear magnetic shielding in HF on forming the Ar···HF complex Molecular Physics. 96: 1217-1224. DOI: 10.1080/00268979909483066  0.436
1999 AICKEN AM, BUCKINGHAM AD, TANTIRUNGROTECHAI Y. Effect of proton motion on molecular properties in the BrH ··· NH3 complex Molecular Physics. 97: 167-176. DOI: 10.1080/00268979909482819  0.428
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