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The Spectroscopy and Molecular Modeling Group

IChPIndustrial Chemistry Research Institute,8 Rydygiera Street, 01-793 Warsaw, Poland

Main Research Fields

  • Theoretical and Experimental Vibrational Spectroscopy ( IR, Raman, VCD)

  • Software Development for Vibrational Spectroscopy and Physical Organic Chemistry (VEDA,Spesca)

  • Computational Modeling of the Reactions Important to Industrial Chemistry

  • Computational Studies on Structure, Conformation, and Intermolecular Interactions

  • Diverse Aspects of Molecular Chirality (Measures, VCD)

  • Isomerism (Tautomerism, Topological Isomerism, Constitutional Isomerism, Conformational Analysis)

History

The Group was formed in 2008, yet, it is a successor of the IR Laboratory in the Department of Technical Physics headed by Prof. Janina Świętosławska since 1945 till 1970. Then the name of the department was changed into the Department of Applied Spectroscopy and was leaded first by Assoc. Prof. Krystyna Gorczyńska and then by Assoc. Prof. Halina Barańska. The Lab was next inserted into several departments and finally it was placed in the department headed by an electrochemist Prof. Piotr Wrona. In that time we extended our research interest by theoretical modeling of catalytic problems – the main issue interesting to our friend and boss Assoc. Prof. Marek A. Borowiak. Now, the department, under the name Department of Electrochemistry and Technology Fundamentals, is headed by Prof. Andrzej Czerwiński.

All this time the Vibrational Spectroscopy was the main interest of the Group. First, the experimental IR spectroscopy was supported by the software written by Dr. Michał H. Jamróz. Since mid 1990s, we have started to use the computational techniques of quantum chemistry. Now, the main fields of interest of the Group are as listed above.

 

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©2011 Spectroscopy and Molecular Modeling Group - Industrial Chemistry Research Institute

Designed by Sławomir Ostrowski