Zobrazeno 1 - 10
of 109
pro vyhledávání: '"Rashid R. Valiev"'
Publikováno v:
The Journal of Physical Chemistry A. 127:1686-1696
Autor:
Yulia A. Vlasenko, Thomas J. Kuczmera, Nikita S. Antonkin, Rashid R. Valiev, Pavel S. Postnikov, Boris J. Nachtsheim
Publikováno v:
Advanced Synthesis & Catalysis. 365:535-543
Publikováno v:
Chemical Science. 14:3873-3880
Substitution with gold(i)-containing moieties results in non-vanishing oscillator strengths and spin–orbit coupling leading to fast intersystem crossing in light-emitting heptazine derivates with an inverted singlet–triplet gap.
Autor:
Eugene A. Katlenok, Anton V. Rozhkov, Ruslan R. Ramazanov, Rashid R. Valiev, Oleg V. Levin, Dmitrii O. Goryachiy, Ilya V. Taydakov, Maxim L. Kuznetsov, Vadim Yu Kukushkin
Publikováno v:
Inorganic Chemistry. 61:8670-8684
Imidoylamidinate-based heteroleptic bis(2-phenylbenzothiazole)iridium(III) and -rhodium(III) complexes [(
Publikováno v:
Physical Chemistry Chemical Physics. 24:6404-6409
The aromaticity of the newly synthesized [12]infinitene is addressed via analysis of the magnetically induced current density and the induced magnetic field. Our calculations reveal that [12]infinitene responds to an external magnetic field by creati
Publikováno v:
Physical chemistry chemical physics. 2022. Vol. 24, № 2. P. 624-628
Magnetically induced ring currents are calculated from the magnetic shielding tensor by employing the Ampere-Maxwell law. The feasibility of the method is demonstrated by integrating the zz component of the shielding tensor along the symmetry axis of
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(31)
Excitation energies of the lowest singlet and triplet state of molecules whose first excited singlet state lies energetically below the first triplet state have been studied computationally at (time-dependent) density functional theory, coupled-clust
Autor:
Glib V, Baryshnikov, Rashid R, Valiev, Lenara I, Valiulina, Alexandr E, Kurtsevich, Theo, Kurtén, Dage, Sundholm, Michael, Pittelkow, Jinglai, Zhang, Hans, Ågren
Publikováno v:
The journal of physical chemistry. A. 126(16)
Cyclo[
Autor:
Rashid R. Valiev, A. E. Kurtsevich, Rinat T. Nasibullin, Dage Sundholm, Victor N. Cherepanov, Theo Kurtén
Publikováno v:
Physical chemistry chemical physics. 2021. Vol. 23, № 11. P. 6344-6348
An efficient method for estimating non-adiabatic coupling matrix elements (NACME) and rate constants for internal conversion (k(IC)) is presented. The method, based on Plotnikov's theory, requires only calculations of the electronic wave functions an
Autor:
Rashid R. Valiev, Theo Kurten, Lenara I. Valiulina, Sergey Yu. Ketkov, Viktor N. Cherepanov, Maria Dimitrova, Dage Sundholm
Publikováno v:
Physical chemistry chemical physics. 2022. Vol. 24, № 3. P. 1666-1674
The magnetically induced current-density susceptibility tensor (CDT) of the lowest singlet and triplet states of the metallocenothiaporphyrins, where the metal is V, Cr, Mn, Fe, Co, Ni, Mo, Tc, Ru, or Rh, have been studied with the gauge-including ma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::651414dc3d5cc0e42d3551f5d308e357
http://hdl.handle.net/10138/340589
http://hdl.handle.net/10138/340589