構造化学研究室

研究業績



原著論文 (研究者情報データベース

Similarity and dissimilarity between water and methanol in solvent effects on the spectroscopic properties of aniline: Molecular dynamics and time-dependent DFT studies
Takumi Watanabe and Kazuhiko Ohashi
Comp. Theor. Chem.1215, 113850 (2022).

Infrared spectroscopic and computational studies of Co(ClO4)2 dissolved in N,N-dimethylformamide (DMF). Vibrations of DMF influenced by Co2+ or ClO4- or both
Kazuhiko Ohashi and Hayato Takeshita
Spectrochim. Acta A248, 119289 (2021).

Vibrational spectroscopic and computational studies on formamide solutions of alkali-metal ions
Kazuhiko Ohashi and Nobutaka Hikiishi
J. Solution Chem.49, 1442–1457 (2020).

Infrared spectroscopic and computational studies on formamide solutions of Ca2+.
Vibrational frequencies of formamide and modes of coordination to Ca2+
Kazuhiko Ohashi, Nobutaka Hikiishi, and Hayato Takeshita
Spectrochim. Acta A206, 112–119 (2019).


学会発表 (研究者情報データベース

MD and TD-DFT studies of solvent effects on the spectroscopic properties of aniline: Similarity and dissimilarity between water and methanol
Takumi Watanabe and Kazuhiko Ohashi
37th International Conference on Solution Chemistry, Colombia (virtual), 25-28 July 2022.

Vibrational spectroscopic and computational studies on formamide solutions of alkali-metal ions
Kazuhiko Ohashi and Nobutaka Hikiishi
36th International Conference on Solution Chemistry, Xining, China, 4–8 August 2019.

Formamide solutions of Ca2+ as studied by infrared spectroscopy and quantum chemical calculations
Kazuhiko Ohashi, Nobutaka Hikiishi, and HayatoTakeshita
Joint Conference of EMLG/JMLG Annual Meeting 2018 and
41st Symposium on Solution Chemistry of Japan, Nagoya, Japan, 4–8 November 2018.