2015, Vol. 31(7): 1283-1301 DOI: 10.3866/PKU.WHXB201504291 | ||
Performance of Twelve Density Functional Theory Methods in the Characterization of Three Trivalent Uranium Complexes | ||
DING Wan-Jian1, FANG Wei-Hai1, CHAI Zhi-Fang2,3, WANG Dong-Qi2 | ||
1 Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, P. R. China; 2 CAS Key Laboratory of Nuclear Radiation and Nuclear Energy Techniques, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, P. R. China; 3 School of Radiation Medicine and Interdisciplinary Sciences (RAD-X), Soochow University, Suzhou 215123, Jiangsu Province, P. R. China |
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Received 2015-01-07 Revised 2015-04-29 | ||
Supporting info | ||