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

由 Yuthana Tantirungrotechai, Supacharee Roddecha, Kraiwan Punyain, Pisanu Toochinda
出版 2018

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

由 Yuthana Tantirungrotechai, Ketthip Phanasant, Supacharee Roddecha, Panida Surawatanawong, Vallaya Sutthikhum, Jumras Limtrakul
出版 2018