Modeling temperature dependency of amine basicity using PCM and SM8T implicit solvation models

M Gupta, EF da Silva, HF Svendsen

文献索引：Horwitz; Rila Journal of the American Chemical Society, 1958 , vol. 80, p. 431,437

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被引用次数: 28

摘要

... The Journal of Physical ... B , 2012, 116 (6), pp 1865–1875. DOI: 10.1021/jp2116017. Publication Date (Web): January 17, 2012. Copyright © 2012 American Chemical Society. ... The main reason for utilizing a thermodynamic cycle is that it allows us to use different levels of theory for ...