Thermodynamic analysis of the solvent effect on tautomerization of acetylacetone: An ab initio approach
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.478249
Reference39 articles.
1. Free energy calculations: a breakthrough for modeling organic chemistry in solution
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3. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
4. Molecular Theory of Solvent Effect on Keto−Enol Tautomers of Formamide in Aprotic Solvents: RISM-SCF Approach
5. Solvent effects. 3. Tautomeric equilibria of formamide and 2-pyridone in the gas phase and solution: an ab initio SCRF study
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