Browse "Dept. of Mechanical Engineering(기계공학과)" by Subject DENSITY-FUNCTIONAL THEORY
Showing results 1 to 3 of 3
| A Simple Descriptor to Rapidly Screen CO Oxidation Activity on Rare-Earth Metal-Doped CeO2: From Experiment to First-Principles Kim, Kyeounghak; Yoo, JeongDo; Lee, Siwon; Bae, Minseok; Bae, Joongmyeon; Jung, Woo Chul; Han, Jeong Woo, ACS APPLIED MATERIALS INTERFACES, v.9, no.18, pp.15449 - 15458, 2017-05 |
| Estimation of the free energy of hard-sphere crystals via a free-volume approach Kwak, Sang Kyu; Park, Taezoon; Yoon, Yong-Jin; Lee, Jong-Min, MOLECULAR SIMULATION, v.38, no.1, pp.16 - 22, 2012 |
| Grid-based Thomas-Fermi-Amaldi equation with the molecular cusp condition Kim, MS; Youn, Sung-Kie; Kang, JK, JOURNAL OF CHEMICAL PHYSICS, v.124, no.12, pp.65 - 70, 2006-03 |
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