Effect of an external electric field and a neighbouring atom on the torsional potential of glyoxal: A computational study

by Yuthana Tantirungrotechai
Published 2018

Computational study of transmission function in p-phenylene sulfide and benzothiophene oligomers

by Yuthana Tantirungrotechai, Atchara Wijitkosoom, Somsak Tonmunphean
Published 2018

A DFT investigation of methanolysis and hydrolysis of triacetin

by Taweetham Limpanuparb, Kraiwan Punyain, Yuthana Tantirungrotechai
Published 2018

In silico investigation of mitragynine and 7-hydroxymitragynine metabolism

by Taweetham Limpanuparb, Rattha Noorat, Yuthana Tantirungrotechai
Published 2020

Density Functional Study of Nickel N-Heterocyclic Carbene Catalyzed C-O Bond Hydrogenolysis of Methyl Phenyl Ether: The Concerted β-H Transfer Mechanism

by Taveechai Wititsuwannakul, Yuthana Tantirungrotechai, Panida Surawatanawong
Published 2018

Influence of stereoisomer of dispiro-1,2,4,5-tetraoxanes on their binding mode with heme and on antimalarial activity: Molecular docking studies

by Somsak Tonmunphean, Atchara Wijitkosoom, Yuthana Tantirungrotechai
Published 2018

Proton shielding calculations in C<inf>6</inf>H<inf>6</inf>⋯H-CX<inf>3</inf>, X = H, F, Cl and Br, complexes

by Yuthana Tantirungrotechai, Somsak Tonmunphean, Atchara Wijitkosoom
Published 2018

Scale Factors for Carbonyl Vibrational Frequencies: A Study of Partial Hessian Approximation

by Pisorn Sae-Heng, Jonggol Tantirungrotechai, Yuthana Tantirungrotechai
Published 2019

Scale factors for carbonyl vibrational frequencies: A study of partial hessian approximation

by Pisorn Sae-Heng, Jonggol Tantirungrotechai, Yuthana Tantirungrotechai
Published 2019

Assessment of mixed basis set and ONIOM methods on the activation energy of ring opening reactions of substituted cyclobutenes

by Yuthana Tantirungrotechai, Supacharee Roddecha, Kraiwan Punyain, Pisanu Toochinda
Published 2018

Decomposition of nitrous oxide on carbon nanotubes

by Supawadee Namuangruk, Pipat Khongpracha, Yuthana Tantirungrotechai, Jumras Limtrakul
Published 2018

The dielectric virial coefficient and model intermolecular potentials

by Anthony J. Stone, Yuthana Tantirungrotechai, A. David Buckingham
Published 2018

Mechanism of Ni N-heterocyclic carbene catalyst for C-O bond hydrogenolysis of diphenyl ether: A density functional study

by Boodsarin Sawatlon, Taveechai Wititsuwannakul, Yuthana Tantirungrotechai, Panida Surawatanawong
Published 2018

Magnetizabilities of ring-structured molecules, [8]-cyclacene, [8]-BN-cyclacene and [8]-collarene, and their effect on³He nuclear shielding tensor

by Somsak Tonmunphean, Atchara Wijitkosoom, Yuthana Tantirungrotechai, Narin Nuttavut, Jumras Limtrakul
Published 2018

Scaling factors for vibrational frequencies and zero-point vibrational energies of some recently developed exchange-correlation functionals

by Yuthana Tantirungrotechai, Ketthip Phanasant, Supacharee Roddecha, Panida Surawatanawong, Vallaya Sutthikhum, Jumras Limtrakul
Published 2018

CoMFA and CoMSIA studies on a new series of xanthone derivatives against the oral human epidermoid carcinoma (KB) cancer cell line

by Ketthip Suphavanich, Phornphimon Maitarad, Supa Hannongbua, Pichit Sudta, Sunit Suksamrarn, Yuthana Tantirungrotechai, Jumras Limtrakul
Published 2018

Redox coupled-spin crossover in cobalt β-diketonate complexes: Structural, electrochemical and computational studies

by Phimphaka Harding, David J. Harding, Rattawat Daengngern, Theeraphol Thurakitsaree, Brian M. Schutte, Michael J. Shaw, Yuthana Tantirungrotechai
Published 2018