Predicting solvation energies for kinetic modeling
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2010/PC/B811056P
Reference293 articles.
1. Quantum Mechanical Continuum Solvation Models
2. Solvation dynamics: The role of hydrogen bonding
3. Solvation Model Based on Order Parameters and a Fast Sampling Method for the Calculation of the Solvation Free Energies of Peptides
4. The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level
5. Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
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