Ab initio methods in mineral surface reactions
Author:
Publisher
American Geophysical Union (AGU)
Subject
Geophysics
Link
http://www.agu.org/journals/rg/v030/i004/92RG00253/92RG00253.pdf
Reference91 articles.
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4. Quantum mechanical potential surfaces and calculations on minerals and molecular clusters, I, STO-3G and 6–31 G* results;Lasaga;Phys. Chem. Miner.,1988
5. Ab-initio quantum mechanical calculations of water-rock interactions: Adsorption and Hydrolysis reactions;Lasaga;Am. J. Sci.,1990
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