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Theory and Applications of Computational Chemistry (eBook, PDF)

The First Forty Years

Redaktion: Dykstra, Clifford; Scuseria, Gustavo; Kim, Kwang; Frenking, Gernot
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Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written ...

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