화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Selective Oxidation of H-2 and CO by Nilr Catalyst in Aqueous Solution: A DFT Mechanistic Study
Isegawa M, Matsumoto T, Ogo S
Inorganic Chemistry, 59(2), 1014, 2020
2 Photochemical Ring Opening and Closing of Three Isomers of Diarylethene: Spin-Flip Time-Dependent Density Functional Study
Isegawa M, Morokuma K
Journal of Physical Chemistry A, 119(18), 4191, 2015
3 Assessment and Validation of Density Functional Approximations for Iron Carbide and Iron Carbide Cation
Li RF, Peverati R, Isegawa M, Truhar DG
Journal of Physical Chemistry A, 117(1), 169, 2013