Browse "CH-Journal Papers(저널논문)" by Subject DENSITY-FUNCTIONAL CALCULATIONS
Showing results 1 to 4 of 4
| Combined Spectroscopic and Computational Analysis of the Vibrational Properties of Vitamin B-12 in its Co3+, Co2+, and Co1+ Oxidation States Park, Kiyoung; Brunold, Thomas C., JOURNAL OF PHYSICAL CHEMISTRY B, v.117, no.18, pp.5397 - 5410, 2013-05 |
| Electronic and Molecular Structure of the Transient Radical Photocatalyst Mn(CO)5 and Its Parent Compound Mn2(CO)10 Cho, Hana; Hong, Kiryong; Strader, Matthew L.; Lee, Jae Hyuk; Schoenlein, Robert W.; Huse, Nils; Kim, Tae Kyu, INORGANIC CHEMISTRY, v.55, no.12, pp.5895 - 5903, 2016-06 |
| Spectroscopic constants of Pb and Eka-lead compounds: comparison of different approaches Liu, Wenjian; van Wuellen, Christoph; Han, Young Kyu; Choi, Yoon Jeong; Lee, Yoon Sup, ADVANCES IN QUANTUM CHEMISTRY, VOL 39: NEW PERSPECTIVES IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT 1 BOOK SERIES: ADVANCES IN QUANTUM CHEMISTRY, v.39, pp.355 - 1, 2001 |
| Study of Li Adsorption on Graphdiyne Using Hybrid DFT Calculations Kim, Jaewook; Kang, Sungwoo; Lim, Jaechang; Kim, Woo Youn, ACS APPLIED MATERIALS & INTERFACES, v.11, no.3, pp.2677 - 2683, 2019-01 |
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