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Quantum Chemistry and Physical Chemistry


Main organisation:Department of Chemistry
Lifecycle:1 Oct 2004  →  Today
Organisation profile:

The methods of quantum mechanics are applied to the study of a wide variety of organic, biological and inorganic compounds. Molecular structure, reactivity and properties are predicted on the basis of theoretical calculations. Due to constant improvements in computer power, and to more and more efficient algorithms, the predictions that can be made are frequently competitive in terms of accuracy with experimental measurements. Computations also provide additional insight into the experimental observations. 

Keywords:DNA bases, gas-solid and liquid-solid interactions, plasma chemistry, metal atom chemistry, environmental chemistry (atmosphere), combustion chemistry, gas kinetics, Computational chemistry, Clusters, Pharmaceutical chemistry, Theoretical organic chemistry, Transition metal chemistry, Coordination chemistry, Quantum chemistry, Catalysis
Disciplines:Biochemistry and metabolism, Medical biochemistry and metabolism, Physical chemistry, Theoretical and computational chemistry, Other chemical sciences, Atmospheric sciences