Yuthana Tantirungrotechai

OctaDist: a tool for calculating distortion parameters in spin crossover and coordination complexes

Rangsiman Ketkaew, Yuthana Tantirungrotechai, Phimphaka Harding et al. · Dalton Transactions · 2020 · 267 citations · Full text

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

Yuthana Tantirungrotechai, Ketthip Phanasant, Supacharee Roddecha et al. · Journal of Molecular Structure THEOCHEM · 2006 · 125 citations

Exchange-correlation Functionals, Vibronic Interaction, Engineering +10

Mechanistic Investigation on 1,5- to 2,6-Dimethylnaphthalene Isomerization Catalyzed by Acidic β Zeolite: ONIOM Study with an M06-L Functional

Chawanwit Kumsapaya, Karan Bobuatong, Pipat Khongpracha et al. · The Journal of Physical Chemistry C · 2009 · 57 citations

Engineering, Methyl Migrations, Biochemistry +14

Molecular electric properties: an assessment of recently developed functionals

Aron J. Cohen, Yuthana Tantirungrotechai · Chemical Physics Letters · 1999 · 47 citations

Natural Sciences, Physical Chemistry, Quantum Chemistry +3

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

Boodsarin Sawatlon, Taveechai Wititsuwannakul, Yuthana Tantirungrotechai et al. · Dalton Transactions · 2014 · 47 citations