The 101st CSJ Annual Meeting

Presentation information

Academic Program [Poster]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Poster

[P01-1am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Fri. Mar 19, 2021 9:40 AM - 11:10 AM Area 1 (Online Meeting)

[P01-1am-04] Effect of solvent permittivity and heteroatoms properties on the formation pathways of Keggin-type polyoxometalates ([XW12O40]n)

Masahiko Akune1, Kazuo Eda1, Toshiyuki Osakai1, Takahito Nakajima2 (1. Kobe Univercity, 2. Institute of Physical and Chemical)

[Lang.] Japanese

Keywords:Polyoxometalates, Quantum chemistry calculations, Reaction Path Search