Crystal structure exploration of nitrogen-contained polycyclic aromatic compounds and rubrene using Buckingham potentials

○KATAOKA

Presentation information

Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sat. Mar 16, 2019 1:30 PM - 4:50 PM D6 (336, Bldg. 3 [3F])

1D6-28～1D6-33　TAKANO, Yu
1D6-35～1D6-39　GOTO, Hitoshi
1D6-42～1D6-47　YANAI, Takeshi

2:10 PM - 2:20 PM

[1D6-32] Crystal structure exploration of nitrogen-contained polycyclic aromatic compounds and rubrene using Buckingham potentials

Oral A

○KATAOKA, Ryoma; ITO, Ryo; YAMAKITA, Yoshihiro (Sci. Eng., The Univ. of Electro-Communications; Grad. Sch. Sci. Eng., The Univ. of Electro-Communications)

PC Setting Time : 13:20 - 13:30

Keywords:Polycyclic aromatic compounds、Crystal structure exploration、Monte-Carlo method、Buckingham potential、Rubrene

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