Ab initio molecular dynamics simulation of redox reactions in solution
Author:
Publisher
Elsevier BV
Subject
General Physics and Astronomy,Hardware and Architecture
Reference11 articles.
1. Unified Approach for Molecular Dynamics and Density-Functional Theory
2. Ab InitioMolecular Dynamics for Molecules with Variable Numbers of Electrons
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4. Free Energy of Oxidation of Metal Aqua Ions by an Enforced Change of Coordination
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