Authors: Baryshnikov, Gleb V. | Valiev, Rashid R. | Valiulina, Lenara I. | Kurtsevich, Alexandr E. | Kurtén, Theo | Sundholm, Dage | Pittelkow, Michael | Zhang, Jinglai | Ågren, Hans

Source: The Journal of Physical Chemistry A. 2022. Vol. 126, № 16. P. 2445-2452

Type: статьи в журналах

Date: 2022

Description: Cyclo[n]carbons (n = 5, 7, 9,..., 29) composed from an odd number of carbon atoms are studied computationally at density functional theory (DFT) and ab initio complete active space self-consistent fie ... More

Authors: Belyanin, Maxim L. | Valiev, Rashid R. | Filimonov, Victor D. | Usov, Vladimir Yu. | Borodin, Oleg | Agren, Hans | Stepanova, Elena V.

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 ... More

Authors: Minaev, Boris F. | Nikonova, Elena N. | Gadirov, Ruslan M. | Solodova, Tatyana A. | Kopylova, Tatyana N. | Telminov, Evgenii N. | Valiev, Rashid R.

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 ... More

Authors: Valiev, Rashid R. | Fliegl, Heike | Sundholm, Dage

Source: The Journal of Physical Chemistry A. 2013. Vol. 117, № 37. P. 9062-9068

Type: статьи в журналах

Date: 2013