Ab initiomolecular dynamics simulation of liquids and solutions
Author:
Publisher
IOP Publishing
Subject
Condensed Matter Physics,General Materials Science
Reference24 articles.
1. Unified Approach for Molecular Dynamics and Density-Functional Theory
2. Density functional Gaussian‐type‐orbital approach to molecular geometries, vibrations, and reaction energies
3. The performance of a family of density functional methods
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