Prediction of relative pK a values of amines by quantum chemical calculations
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s00706-010-0379-0.pdf
Reference24 articles.
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2. Ghasemi J, Saaidpour S, Brown SD (2007) J Mol Struct Theochem 805:27
3. Casasnovas R, Frau J, Ortega-Castro J, Salvà A, Donoso J, Muñoz F (2009) J Mol Struct Theochem 912:5
4. Almerindo GI, Tondo DW, Pliego JR Jr (2004) J Phys Chem A 108:166
5. Trummal A, Rummel A, Lippmaa E, Burk P, Koppel IA (2009) J Phys Chem A 113:6206
Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. A reliable and efficient first principles-based method for predicting pKavalues. 4. organic bases;Journal of Computational Chemistry;2012-07-27
2. Basis set effects on the prediction accuracy of relative acidity constants of primary and secondary amines;Computational and Theoretical Chemistry;2011-06
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