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About PCM PDF
This document provides an overview of theoretical approaches for studying chemistry in solution based on continuum models of the solvent. It discusses both classical and quantum mechanical methods for describing solute-solvent interactions and their applications, including calculating solvation free energies, modeling chemical equilibria and reaction mechanisms, and incorporating dynamical solvent effects. The goal is a proper theoretical understanding and ability to predict specific chemical processes occurring in solution.
Detailed Information
Author: | ['Isaac Huidobro Meezs'] |
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Publication Year: | 2020 |
Pages: | 68 |
Language: | English |
Format: | |
Price: | FREE |
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