Электронная библиотека (репозиторий) Томского государственного университета

Add to Quick Collection   All 10 Results

Showing items 1 - 10 of 10.
  • «
  • 1
  • »
Sort:
 Add All Items to Quick Collection
Source: Physical chemistry chemical physics. 2021. Vol. 23, № 11. P. 6344-6348
Type: статьи в журналах
Date: 2021
Description: An efficient method for estimating non-adiabatic coupling matrix elements (NACME) and rate constants for internal conversion (kIC) is presented. The method, based on Plotnikov’s theory, requires only ... More
Source: Chemical physics letters. 2019. Vol. 723. P. 123-127
Type: статьи в журналах
Date: 2019
Description: Acetyl protecting groups are commonly used in carbohydrate chemistry. Partially acetylated arylglycosides are not only useful building blocks in syntheses, but they are also substantial for plant meta ... More
Source: Chemical modelling. Cambridge, 2018. Vol. 14. P. 1-42
Type: статьи в сборниках
Date: 2018
Description: The present review gives an overview over different theoretical approaches to study the aromaticity of porphyrins and porphyrin based compounds with the focus on magnetically induced current densities ... More
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 13. P. 8980-8992
Type: статьи в журналах
Date: 2016
Description: Magnetically induced current densities and current pathways have been calculated for a series of fully annelated dicationic and dianionic tetraphenylenes, which are also named [8]circulenes. The gauge ... More
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 17. P. 11932-11941
Type: статьи в журналах
Date: 2016
Description: Magnetically induced current densities have been calculated and analyzed for a number of synthesized carbachlorins and carbaporphyrins using density functional theory and the gauge including magnetica ... More
Source: The Journal of Physical Chemistry A. 2015. Vol. 119, № 7. P. 1201-1207
Type: статьи в журналах
Date: 2015
Description: Magnetically induced current densities and current pathways have been calculated for carbaporphyrins and carbathiaporphyrins using the gauge including magnetically induced current (GIMIC) method. The ... More
Source: Physical chemistry chemical physics. 2015. Vol. 17, № 21. P. 14215-14222
Type: статьи в журналах
Date: 2015
Description: Magnetically induced current densities have been calculated for dioxaporphyrin, dithiaporphyrin, true carbaporphyrins, and N-confused porphyrins using the gauge-including magnetically induced current ... More
Source: Physical chemistry chemical physics. 2014. Vol. 16. P. 11010-11016
Type: статьи в журналах
Date: 2014
Source: The Journal of Physical Chemistry A. 2013. Vol. 117, № 37. P. 9062-9068
Type: статьи в журналах
Date: 2013
Source: Physical chemistry chemical physics. 2012. Vol. 14, № 32. P. 11508-11517
Type: статьи в журналах
Date: 2012
  • «
  • 1
  • »
^