Theoretical and Computational Chemistry | Zendy

Markus Meuwly | Zendy

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Theoretical and Computational Chemistry

Author(s) -

Markus Meuwly

Publication year - 2010

Publication title -

chimia international journal for chemistry

Language(s) - English

Resource type - Journals

eISSN - 2673-2424

pISSN - 0009-4293

DOI - 10.2533/chimia.2010.867

Subject(s) - diastereomer , range (aeronautics) , computational chemistry , chemistry , computer science , nanotechnology , biochemical engineering , materials science , organic chemistry , engineering , composite material

Computer-based and theoretical approaches to chemical problems can provide atomistic understanding of complex processes at the molecular level. Examples ranging from rates of ligand-binding reactions in proteins to structural and energetic investigations of diastereomers relevant to organo-catalysis are discussed in the following. They highlight the range of application of theoretical and computational methods to current questions in chemical research.

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