Optimized cartesian coordinates of clusters of solvated ferrous ion in water and ammonia
收藏doi.org2025-03-26 收录
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http://doi.org/10.17632/vtv97rskfv.1
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We reported here optimized cartesian coordinates of the various structures of solvated ferrous ion in water and ammonia. The geometries were optimized at the MP2/6-31++G(d,p) level of computation.
本报告阐述了在水和氨溶剂中，亚铁离子各种结构的最优笛卡尔坐标。这些几何结构均在MP2/6-31++G(d,p)计算水平下进行了优化。
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