Pradip Si1, Ajay Jayanth2, Oliviero Andreussi3

  • 1Department of Chemistry, University of North Texas, Denton, Texas, USA.

PubMed
概括

本研究系统地对100多种非水性溶剂进行软球连续溶解 (SSCS) 模型的参数化. 该模型准确地预测了溶解能,证明了它在各种化学环境中进行统一计算研究的潜力.

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