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Source: Russian physics journal. 2016. Vol. 59, № 4. P. 536-543
Type: статьи в журналах
Date: 2016
Description:
A study of electronic states of LiO, NaO, KO, MgO, and CaO molecules has been performed. Potential energy curves of the investigated molecules have been constructed within the framework of the XMC-QDP
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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
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Source: Physical chemistry chemical physics. 2016. Vol. 18, № 40. P. 28040-28051
Type: статьи в журналах
Date: 2016
Description:
In the present work, we studied the synergetic effect of benzoannelation and NH/O-substitution for enhancing the absorption intensity in a series of novel designed benzoannelated aza- and oxa[8]circul
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Source: Russian physics journal. 2016. Vol. 59, № 2. P. 197-203
Type: статьи в журналах
Date: 2016
Description:
A theoretical and experimental study of electronic states and the absorption spectra of 3-nitroformazan molecules was conducted. The results of the study show that the first electron transition is σ→π
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Source: Chemical physics letters. 2016. Vol. 665. P. 111-116
Type: статьи в журналах
Date: 2016
Description:
In the present paper we describe the first synthesis and evaluation of a novel Mn (II) complex (DTPA-PPDA Mn (II)) which contains a C-15 fatty acid moiety that has high affinity to the heart muscle. T
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Source: Russian physics journal. 2016. Vol. 58, № 9. P. 1205-1211
Type: статьи в журналах
Date: 2016
Description:
Spectroscopic characteristics of complexes of Cu[I] ion with halogens synthesized by the TDDFT/CAM-B3LYP method are studied. It is shown that S0 → S1 and S0 → T1 electronic transitions are excitations
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Source: Current organic synthesis. 2016. Vol. 13, № 4. P. 623-628
Type: статьи в журналах
Date: 2016
Description:
A general and simple procedure for the synthesis of 3-nitroformazan using arenediazonium tosylates was developed. This convenient procedure can be applied for the preparation of 3-nitroformazans conta
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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
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Authors:
Kopylova, Tatyana N. |
Nikonov, Sergej Yu. |
Valiev, Rashid R. |
Telminov, Evgenii N. |
Nikonova, Elena N. |
Solodova, Tatyana A. |
Alekseeva, Valentina I. |
Marinina, Lyubov E. |
Savvina, Lyubov P. |
Gadirov, Ruslan M.
Source: Russian physics journal. 2016. Vol. 59, № 1. P. 1-7
Type: статьи в журналах
Date: 2016
Description:
Spectral, luminescent, and lasing characteristics of chromene dyes and their julolidine analogs emitting in the red spectral range are investigated experimentally and theoretically. It is shown that t
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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
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Source: Journal of molecular modeling. 2015. Vol. 21, № 6. P. 136 (1-9)
Type: статьи в журналах
Date: 2015
Description:
A series of heterocyclic and hydrocarbon [8]circulenes (also named completely annelated tetraphenylenes) were studied by the NICS and GIMIC methods in order to describe their aromatic properties from
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Source: The Journal of Physical Chemistry A. 2015. Vol. 119, № 10. P. 1948-1956
Type: статьи в журналах
Date: 2015
Description:
Absorption and fluorescence spectra of the chromene 3 and chromene 13 dyes are studied experimentally and by density functional theory (DFT) including vibronic structure analysis. Vertical electronic
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Source: Chemical physics. 2015. Vol. 459. P. 65-71
Type: статьи в журналах
Date: 2015
Description:
Calculations of vibronic structure in the electronic absorption spectra are carried out for the series of heteroannelated octatetraenes on the basis of density functional theory method. Both Franck–Co
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Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 141
Type: статьи в сборниках
Date: 2015
Authors:
Chen, Guanying |
Qiu, Hailong |
Shao, Wei |
Ohulchanskyy, Tymish Y. |
Valiev, Rashid R. |
Wu, Xiang |
Han, Gang |
Wang, Yan |
Yang, Chunhui |
Damasco, Jossana |
Agren, Hans |
Prasad, Paras N.
Source: Nano letters. 2015. Vol. 15, № 11. P. 7400-7407
Type: статьи в журналах
Date: 2015
Description:
Lanthanide-doped upconversion nanoparticles hold promises for bioimaging, solar cells, and volumetric displays. However, their emission brightness and excitation wavelength range are limited by the we
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