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

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