Computational Materials Chemistry: Methods and Applications

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Mathematics - Computational Mathematics
Computational Materials Chemistry:...

Computational Materials Chemistry: Methods and Applications

Name: Computational Materials Chemistry: Methods and Applications
ISBN: 9781402017674

L.A. Curtiss, M.S. Gordon

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This volume illustrates the contributions that modern techniques in simulation and modeling can make to materials chemistry research and the level of accuracy achievable. While new developments in simulation and modeling are discussed to some extent, the major emphasis is on applications to materials chemistry including in areas of surface chemistry, solid state chemistry, polymer chemistry and nanoscience. The phenomenal improvement in both theoretical methods and computer technology have made it possible for computational chemistry to achieve a new level of chemical accuracy that is providing significant insight into the effect of chemical reactivity on the behavior of materials and helping to design new materials.

Audience: Researchers, teachers, and students in chemistry and physics.

种类:

Mathematics - Computational Mathematics

年:

2004

出版:

出版社:

Springer Netherlands

语言:

english

页:

383