Quantum chemical parameters calculations for chlorine derivatives with additional rings
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.
Main Authors: | , , |
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Format: | Article |
Language: | Russian |
Published: |
MIREA - Russian Technological University
2006-08-01
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Series: | Тонкие химические технологии |
Online Access: | https://www.finechem-mirea.ru/jour/article/view/1427 |