Quantum, classical, and multi-scale simulation of silica–water interaction: molecules, clusters, and extended systems

Author:

Cheng Hai-Ping,Wang Lin-Lin,Du Mao-Hua,Cao Chao,Wan Ying-Xia,He Yao,Muralidharan Krishna,Greenlee Grace,Kolchin Andrew

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Computer Science Applications,General Materials Science

Reference116 articles.

1. Trickey S.B. et al., J. Comput. Aided Mat. Design, 2006 (this issue).

2. Iler R.K., (1979). The Chemistry of Silica. Wiley, New York

3. Legrand A.P. (Ed). (1998). The Surface Properties of Silica. London, Wiley

4. Hochella M.F.J., White A.F., (Eds) In: Ribbe P.H. (Ed) Mineral-Water Interface Geochemistry. Review in Mineralogy, Vol. 23. Chelsa: BookCrafters, Inc, 1990.

5. Cygan R.T., Kubicki J.D., (Eds). In Rosso J.J., Ribbe P.H., (Eds.) Molecular Modeling Theory: Applications in the Geoscience. Reviews in Mineralogy and Geochemistry, Vol. 42. Washington DC: Geochemical Society and Mineralogy Society of America, 2001.

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