基于密度泛函理论研究锂-冠醚复合物的结构和热力学参数
Density Functional Theory Studies of the Structures and Thermodynamic Parameters of Li+-Crown Ether Complexes
基于密度泛函理论研究锂-冠醚复合物的结构和热力学参数 |
| 赵岩,敖银勇,陈建,宋宏涛,黄玮,彭静 |
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Density Functional Theory Studies of the Structures and Thermodynamic Parameters of Li+-Crown Ether Complexes |
| Yan ZHAO,Yin-Yong AO,Jian CHEN,Hong-Tao SONG,Wei HUANG,Jing PENG |
| 图3 含不同配位原子的苯并-15冠-5与锂离子形成配合物的优势构象示意图(298.15 K,气相) |
| Fig 3 Optimized structures of Li+ complexes for B15C5 with different donor atoms (298.15 K, gas phase) |
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