The 101st CSJ Annual Meeting

Presentation information

Academic Program [Oral B]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Oral B

[A19-1pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Fri. Mar 19, 2021 1:00 PM - 3:20 PM Room 19 (Online Meeting)

Chair:Nobuyuki Matubayasi, Yasuteru Shigeta

1:20 PM - 1:40 PM

[A19-1pm-02] Study on Electron Density Distribution Map and Crystal Structure Factor of Low Pressure Phase and High Pressure Phase of Mg3BN3 by Using Modified Discrete Cosine Transform

Hideo Hiraguchi1 (1. The Institution of Professional Engineers, Japan)

[Lang.] English

Keywords:Modified Discrete Cosine Transform, Fourier Transform, Electron Density Distribution, Crystal Structure Factor, Mg3BN3