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Performance of Density Functional Theory and Relativistic Effective Core Potential for Ru-Based Organometallic Complexes Paranthaman, Selvarengan; Moon, Jiwon; Kim, Joonghan; Kim, Dong Eon; Kim, Tae Kyu, JOURNAL OF PHYSICAL CHEMISTRY A, v.120, no.13, pp.2128 - 2134, 2016-04 |
Reactivity of molecular oxygen with aluminum clusters: Density functional and Ab Initio molecular dynamics simulation study Paranthaman, Selvarengan; Moon, Jiwon; Hong, Kiryong; Kim, Jeongho; Kim, Dong Eon; Kim, Joonghan; Kim, Tae Kyu, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.7, pp.547 - 554, 2016-04 |
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