Volume: Vol1, Issue 4/2012

Published on: Dec 2012

Contains 20 articles

Theoretical and computational chemistry in Timisoara – Past, Present, Future

 

Authors

ZENO SIMON *,1, ADRIAN CHIRIAC 1

 

Affiliation

1Chemical Research Institute, Timisoara branch of the Romanian Academy

 

 

Research in theoretical and computational chemistry is performed in Timişoara mainly at the Chemical Research Institute and at the Chemistry Department of the West-University. The main research directions are quantum chemistry-molecular orbital theory applied to organic molecules and transition metal complexes and quantitative chemical structure-biologic activity relations. The main achievment is the minimal steric difference method for QSAR type relations. Results obtained within these directions are described as well as achievments of a more theoretical physics oriented group of quantum chemists. Perspectives for future developments are also discused.

 

Pages

338-341

 

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*Correponding author