The 102nd CSJ Annual Meeting

Presentation information

Academic Program [Oral B]

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

[A204-2pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Thu. Mar 24, 2022 1:20 PM - 3:20 PM A204 (Online Meeting)

Chair: Yoshiki Ishii, Shuji Ogata

2:00 PM - 2:20 PM

[A204-2pm-03] Comparative Study of Electron Density Distribution Maps and Crystal Structure Factors of Mg3BN3 High Pressure Phase by Discrete Cosine Transform and Maximum Entropy Method

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

[Lang.] English

Keywords:Discrete Cosine Transform, Maximum Entropy Method, Magnesium Boron Nitride, Electron Density Distribution Maps, Crystal Structure Factors