Abstract

Results of investigations carried out by the oscillation spectroscopy and quantum chemistry methods (B3LYP/6-31++G(d,p)) to study composition, structure, formation energy, and relative stability of hydrogen-bonded molecular complexes occurring in some aqueous and nonaqueous binary solutions are summarized and analyzed. Common complex formation regularities are established for these solutions.

中文翻译：

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水和非水二元溶液中H键复合物的结构和形成规律

摘要

通过振动光谱法和量子化学方法（B3LYP / 6-31 ++ G（d，p））进行的研究结果，以研究在某些水溶液中发生的氢键分子配合物的组成，结构，形成能和相对稳定性对非水二元溶液进行了总结和分析。为这些解决方案建立了常见的复合物形成规律。