Improvement of the solvation free energy of monoatomic solute immersed in homonuclear diatomic solvent within the RISM framework

Presentation information

Academic Program (AP) [Poster]

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 10:00 AM - 11:30 AM P (Arena, Gymnasium and Auditorium [1F])

Presentation time：Odd Poster Number 10:00-10:45 / Even Poster Number 10:45-11:30

○NAKASIMA, Kouma; MIYATA, Tatuhiko (Fac. Sci., Ehime Univ.)

Keywords:RISM theory、Solvation free energy (SFE)、Solvent、closure equation、SEB correction

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