Browse "RIMS Collection" by Subject TOTAL-ENERGY CALCULATIONS
Showing results 2 to 5 of 5
| Ligand Effects on the Linear Response Hubbard U: The Case of Transition Metal Phthalocyanines Brumboiu, Iulia Emilia; Haldar, Soumyajyoti; Luder, Johann; Eriksson, E.; Herper, Heike C.; Brena, Barbara; Sanyal, Biplab, JOURNAL OF PHYSICAL CHEMISTRY A, v.123, no.14, pp.3214 - 3222, 2019-04 |
| Morphology effects in MnCeOx solid solution-catalyzed NO reduction with CO: Active sites, water tolerance, and reaction pathway Shi, Quanquan; Zhang, Yifei; Li, Zhiwen; Han, Zhongkang; Xu, Liangliang; Baiker, Alfons; Li, Gao, NANO RESEARCH, v.16, no.5, pp.6951 - 6959, 2023-05 |
| Sensing applications of GeBi nanosheet for environmentally toxic/non-toxic gases: Insights from density functional theory calculations Kumar, Vipin; Rajput, Kaptan; Roy, Debesh R., APPLIED SURFACE SCIENCE, v.606, 2022-12 |
| Turning Electrocatalytic Activity Sites for the Oxygen Evolution Reaction on Brownmillerite to Oxyhydroxide Song, Sanzhao; Mu, Liuhua; Jiang, Yong; Sun, Jian; Zhang, Yao; Shi, Guosheng; Sun, Hainan, ACS APPLIED MATERIALS & INTERFACES, v.14, no.42, pp.47560 - 47567, 2022-10 |
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