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Theory of surface chemical reactivity

✍ Scribed by R. A. van Santen; M. Neurock

Book ID
111472270
Publisher
Pleiades Publishing
Year
2007
Tongue
English
Weight
523 KB
Volume
1
Category
Article
ISSN
1990-7931

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The theoretical description of charge distribution, and related properties, such as chemical reactivity descriptors of chemical compounds, has Ε½ . greatly benefited from the development of density functional theory DFT methods. Indeed, most concepts stemmed from DFT but, up to now, they have been us