Quantum-chemical calculations of the hydration energies of organic cations and anions in the framework of a continuum solvent approximation
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference38 articles.
1. The development of quantum mechanical solvent effect models. Macroscopic electrostatic contributions
2. Medium polarization effect on proton potential shape S.A SCRF-MO CNDO2 study of methanol and methanethiol H-bonded to imidazol
3. Solvent effects on the structure and the electronic properties of simple molecules. A MINDO/3-SCRF-MO study
4. On the theory of solvent effects
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