The 99th CSJ Annual Meeting

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Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 1:10 PM - 5:20 PM D6 (336, Bldg. 3 [3F])

2D6-26～2D6-31　HARUTA, Naoki
2D6-33～2D6-36　SUGIMOTO, Manabu
2D6-39～2D6-42　SUGISAKI, Kenji
2D6-45～2D6-49　OKUMURA, Mitutaka

PM

2:20 PM - 2:30 PM

[2D6-33] Development of surface model calculation database and evaluation of catalytic activity for methane steam reforming

Oral A

○ONODA, Haruka; KURODA, Yusuke; KOBAYASHI, Masato; TAKETSUGU, Tetsuya (Grad. Sch. Chem. Sci. and Eng., Hokkaido Univ.)

PC Setting Time : 14:10 - 14:20

Keywords:methane steam reforming、catalyst、surface、quantum chemical calculation、sparse modeling

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