The 99th CSJ Annual Meeting

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Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sat. Mar 16, 2019 9:00 AM - 12:20 PM D6 (336, Bldg. 3 [3F])

1D6-01～1D6-06　ISHIDA, Toyokazu
1D6-08～1D6-12　TACHIKAWA, Masanori
1D6-15　SATO, Hirofumi

AM

9:10 AM - 9:20 AM

[1D6-02] Theoretical study of phase transition temperature in squaric acid crystals using path integral molecular dynamics method

Oral A

○ICHIKAWA, Atsuki; TACHIKAWA, Masanori; ISHIMOTO, Takayoshi; OBA, Yuki (Grad. Sch. Nanobiosci., Yokohama City Univ.)

PC Setting Time : 08:50 - 09:00

Keywords:squaric acid、phase transition、antiferroelectric、paraelectric、H/D isotope effect

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