Laboratory of Quantum Chemistry and Laboratory of Quantum Chemical Modeling of Molecular Systems

Research Areas

Development of based on the theory of Green functions methods for calculating the electronic structure of atoms and molecules , their software implementation and application for solving problems of quantum chemistry and molecular spectroscopy.
	Theoretical modeling of elementary acts of chemical transformations in the gas phase and solutions. Research of the reaction mechanisms of acetylene and its derivatives catalyzed by a superbase, investigation the structure of the catalytic center and the factors determining the regio- and stereoselectivity of these specific processes.

• Grants
• Dissertations
• Articles
• Laboratory staff
  
  • Nadezhda M. Vitkovskaya, Head of the laboratory, D.Sc., Prof., vita@cc.isu.ru
  • Vladimir B. Kobychev, D.Sc., Prof., Leading Researcher, gimli@cc.isu.ru
  • Alexander B. Trofimov, D.Sc, Docent, Prof. of the Russian Academy of Sciences, Leading Researcher, atrof@math.isu.runnet.ru
  • Vladimir B. Orel, Ph.D., Senior Researcher, orelv@isu.ru
  • Anna D. Skitnevskaya, Ph.D., Senior Researcher, a.skitnevskaya@isu.ru
  • Alexander S. Bobkov, Ph.D. student, Junior Researcher, alex.bobkov@isu.ru
  • Damir Z. Absalyamov, Master student, laboratory assistant - researcher, absolem@isu.ru
  • Emma K. Grigoricheva, Master student, laboratory assistant - researcher, emma31418@mail.ru
• Grigiriy Gnatovskiy, 4^th year student of the Chemical Faculty, laboratory assistant - researcher
• Anastasiya Manzhueva, Master student, laboratory assistant - researcher
• Anastasiya Pradedova 4^th year student of the Chemical Faculty, laboratory assistant - researcher
• Nikita Teplyashin, 4^th year student of the Chemical Faculty, laboratory assistant - researcher
• Contacts