Quantum chemical parameters calculations for chlorine derivatives with additional rings

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.

Bibliographic Details
Main Authors: A. A. Mezentseva, E. V. Burlyeva, A. F. Mironov
Format: Article
Language:Russian
Published: MIREA - Russian Technological University 2006-08-01
Series:Тонкие химические технологии
Online Access:https://www.finechem-mirea.ru/jour/article/view/1427
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spelling doaj-6c958459c920472193b644efa4c250e02021-07-28T13:23:49ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752006-08-011450541422Quantum chemical parameters calculations for chlorine derivatives with additional ringsA. A. Mezentseva0E. V. Burlyeva1A. F. Mironov2M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571M.V. Lomonosov Moscow State University of Fine Chemical Technologies, 86, Vernadskogo pr., Moscow 119571Quantum-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.https://www.finechem-mirea.ru/jour/article/view/1427
collection DOAJ
language Russian
format Article
sources DOAJ
author A. A. Mezentseva
E. V. Burlyeva
A. F. Mironov
spellingShingle A. A. Mezentseva
E. V. Burlyeva
A. F. Mironov
Quantum chemical parameters calculations for chlorine derivatives with additional rings
Тонкие химические технологии
author_facet A. A. Mezentseva
E. V. Burlyeva
A. F. Mironov
author_sort A. A. Mezentseva
title Quantum chemical parameters calculations for chlorine derivatives with additional rings
title_short Quantum chemical parameters calculations for chlorine derivatives with additional rings
title_full Quantum chemical parameters calculations for chlorine derivatives with additional rings
title_fullStr Quantum chemical parameters calculations for chlorine derivatives with additional rings
title_full_unstemmed Quantum chemical parameters calculations for chlorine derivatives with additional rings
title_sort quantum chemical parameters calculations for chlorine derivatives with additional rings
publisher MIREA - Russian Technological University
series Тонкие химические технологии
issn 2410-6593
2686-7575
publishDate 2006-08-01
description 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.
url https://www.finechem-mirea.ru/jour/article/view/1427
work_keys_str_mv AT aamezentseva quantumchemicalparameterscalculationsforchlorinederivativeswithadditionalrings
AT evburlyeva quantumchemicalparameterscalculationsforchlorinederivativeswithadditionalrings
AT afmironov quantumchemicalparameterscalculationsforchlorinederivativeswithadditionalrings
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