Theoretical Chemistry

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		Theoretical Chemistry	IRB: Bijenička 54, HR-10000 Zagreb. tel: +385 (0)1 4561-111, fax: 4680-084, PR: 4571-269, mail: info@irb.hr
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Up (Activities of DPC)

Research activities range from developing of a general mathematical formalism for describing large to infinite molecular systems and their interactions with “small” molecules, over the application of advanced quantum-chemical and quantum-dynamic methods to study ultrafast intramolecular processes and chemical reactions up to the creation of new and improved topological indices for QSAR models. A general mathematical formalism is developed for describing interaction of an arbitrary finite quantum system with an arbitrary finite but known quantum system. One of objectives is to study the role of spin in dynamics of particles and to formulate the radiation reaction force for quantum systems in very strong electromagnetic fields.