The 100th CSJ Annual Meeting

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Academic Program (AP) [Poster]

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Mon. Mar 23, 2020 3:00 PM - 4:30 PM P (Arena, Morito Memorial Gymnasium [1F])

Presentation time：Odd Poster Number 15:00-15:45 / Even Poster Number 15:45-16:30

[2PC-169] A theoretical study on molecular cluster of citric acid

Poster

TANAKA, Yoshihiro; ○MATSUI, Toru; OTSUKA, Takao; SUMITA, Masato; IZAWA, Hironori; MORIHASHI, Kenji (Div. of Chem., Fac. Pure Appl. Sci., Univ. of Tsukuba)

Keywords:density functional theory, Acid dissociation constant, molecular dynamics calculation, citric acid

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