Force fields for silicas and aluminophosphates based onab initiocalculations
Author:
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.64.1955/fulltext
Reference11 articles.
1. Computer Simulation Studies of Zeolite Structure
2. Applications of quantum mechanical potential surfaces to mineral physics calculations
3. Quantum mechanical potential surfaces and calculations on minerals and molecular clusters
4. First-Principles Interatomic Potential of Silica Applied to Molecular Dynamics
5. Non-empirical pseudopotentials for molecular calculations
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