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Quantum chemical parameters calculations for chlorine derivatives with additional rings

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Abstract

Quantum-mechanical calculations are the important tools for forecasting thermodynamical properties of new photosensitizers which allows to optimize essentially chemical synthesis in a number of chlorine derivatives. The calculations were carried out by means of the program MOPAC 7.0.

About the Authors

A. A. Mezentseva
M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571
Russian Federation


E. V. Burlyeva
M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571
Russian Federation


A. F. Mironov
M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571
Russian Federation


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For citation:


Mezentseva A.A., Burlyeva E.V., Mironov A.F. Quantum chemical parameters calculations for chlorine derivatives with additional rings. Fine Chemical Technologies. 2006;1(4):50-54. (In Russ.)

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