The 99th CSJ Annual Meeting

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Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sat. Mar 16, 2019 9:00 AM - 12:20 PM D6 (336, Bldg. 3 [3F])

1D6-01～1D6-06　ISHIDA, Toyokazu
1D6-08～1D6-12　TACHIKAWA, Masanori
1D6-15　SATO, Hirofumi

AM

9:40 AM - 9:50 AM

[1D6-05] First principles calculations for reaction analysis of ammonia synthesis using YRu2 intermetallic catalyst

Oral A

○ONO, Yuki; TADA, Tomofumi; KOBAYASHI, Yasukazu; KITANO, Masaaki; HOSONO, Hideo (Sch. Mater. & Chem. Tech., Tokyo Tech.)

PC Setting Time : 08:50 - 09:00

Keywords:first principles calculations、ammonia synthesis reaction、intermetallic catalyst

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