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1

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

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

بواسطة Yuthana Tantirungrotechai, Supacharee Roddecha, Kraiwan Punyain, Pisanu Toochinda
منشور في 2018

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2

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

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

بواسطة Yuthana Tantirungrotechai, Ketthip Phanasant, Supacharee Roddecha, Panida Surawatanawong, Vallaya Sutthikhum, Jumras Limtrakul
منشور في 2018

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