Molecular modeling encompasses applied theoretical approaches and
computational techniques to model structures and properties of
molecular compounds and materials in order to predict and / or
interpret their properties. The modeling covered in this book
ranges from methods for small chemical to large biological
molecules and materials. With its comprehensive coverage of
important research fields in molecular and materials science, this
is a must-have for all organic, inorganic and biochemists as well
as materials scientists interested in applied theoretical and
computational chemistry. The 28 chapters, written by an
international group of experienced theoretically oriented chemists,
are grouped into four parts: Theory and Concepts; Applications in
Homogeneous Catalysis; Applications in Pharmaceutical and
Biological Chemistry; and Applications in Main Group, Organic and
Organometallic Chemistry. The various chapters include concept
papers, tutorials, and research reports.
General
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