采用12种密度泛函理论方法表征三种三价铀复合物
丁万见, 方维海, 柴之芳, 王东琪
Performance of Twelve Density Functional Theory Methods in the Characterization of Three Trivalent Uranium Complexes
DING Wan-Jian, FANG Wei-Hai, CHAI Zhi-Fang, WANG Dong-Qi
物理化学学报 . 2015, (7): 1283 -1301 .  DOI: 10.3866/PKU.WHXB201504291