A new extension of classical molecular dynamics: An electron transfer algorithm
Author:
Affiliation:
1. Laboratory of Power Sources; The Institute of High Temperature Electrochemistry of the Ural Branch of RAS; st. Akademicheskaya, 20 Yekaterinburg 620137 Russian Federation
Funder
RFBR
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference38 articles.
1. Unified Approach for Molecular Dynamics and Density-Functional Theory
2. Nonadiabatic Molecular Dynamics Study of Electron Transfer from Alizarin to the Hydrated Ti4+ Ion
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