Zobrazeno 1 - 10
of 63
pro vyhledávání: '"Nikolai Tyutyulkov"'
Autor:
Nikolai Tyutyulkov, Fritz Dietz
Publikováno v:
Magnetic Properties of Organic Materials ISBN: 9780203748503
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc48c0a250d406d225394b38e16afe3b
https://doi.org/10.1201/9780203748503-23
https://doi.org/10.1201/9780203748503-23
Publikováno v:
Zeitschrift für Naturforschung B. 65:49-56
Nikolai Tyutyulkova, Nedko Drebovb, Klaus Mullenc, and Fritz Dietzd a University of Sofia, Faculty of Chemistry, Department of Physical Chemistry, 1, J. Bourchier blvd, 1129 Sofia, Bulgaria b Universitat Karlsruhe, Institut fur Physikalische Chemie,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b19cfbe3e05b346e8123d9b45513a88
https://doi.org/10.1515/znb-2010-0109
https://doi.org/10.1515/znb-2010-0109
Publikováno v:
Zeitschrift für Naturforschung B. 62:1433-1436
In this communication we consider a class of nonKekule molecules with a new structural principle and with (very) low excitation energies. The structural principle and the peculiarity of the investigated systems are described in detail in the followin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e01b130274f8c84005b41dc1f3fe4e28
https://doi.org/10.1515/znb-2007-1112
https://doi.org/10.1515/znb-2007-1112
Publikováno v:
International Journal of Quantum Chemistry. 107:1396-1404
A new class of open-shell polymethine monoradicals, possessing nonbonding molecular orbitals (NBMO) and very low excitation energies, was investigated theoretically. The radicals are derivatives of the stable 2-azaphenalenyl radical. Since in the gro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4a17b78afe37747748550c2ab817a2a7
https://doi.org/10.1002/qua.21270
https://doi.org/10.1002/qua.21270
Publikováno v:
Zeitschrift für Naturforschung B. 61:182-188
It is shown theoretically that the ground state of a new class of non-Kekulé polymethine molecules can be a triplet state with non-degenerate singly occupied MOs. The investigated polymethine cyanine cations, polymethine oxonol anions, and neutral p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::98a2d90eef4a24e0a9776d01af06a4d0
https://doi.org/10.1515/znb-2006-0211
https://doi.org/10.1515/znb-2006-0211
Publikováno v:
Monatshefte für Chemie - Chemical Monthly. 136:1573-1578
It is shown that the extended Coulson-Rushbrooke-Longuet-Higgins theorem is the structural principle of a class of 1-D polymethine systems with nonbonding MOs and a small HOMO-LUMO gap. From this point of view the structural and spectroscopic propert
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0153372a0d1cf332de330da0b0f12602
https://doi.org/10.1007/s00706-005-0343-6
https://doi.org/10.1007/s00706-005-0343-6
Publikováno v:
Chemical Physics. 310:297-301
It has been shown that a symmetry lowering from a state with higher symmetry to a state with lower symmetry (D (2m)d → C (2m) ) occurs in 1-D polymers with polymethine fragments as elementary units when electron–vibration interaction is taken int
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1b889e92ba48138d469ede0c4fcffde3
https://doi.org/10.1016/j.chemphys.2004.10.044
https://doi.org/10.1016/j.chemphys.2004.10.044
Publikováno v:
Zeitschrift für Naturforschung B. 60:75-82
The photoswitching of optical and electrochemical properties of di-donor, di-acceptor and donor-acceptor substituted photochromic tetrahydropyrene - [2,2]metacyclophanene and dihydropyrene - [2,2]metacyclophanediene systems has been studied theoretic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc7780fd312c857ff95989496d6eb091
https://doi.org/10.1515/znb-2005-0112
https://doi.org/10.1515/znb-2005-0112
Publikováno v:
Zeitschrift für Naturforschung B. 58:965-970
The structure and energy spectra of large polycyclic aromatic hydrocarbons (PAHs) with different symmetry and edge structure have been studied by quantum chemical methods. It is shown, that if the electron correlation is taken into account, the energ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fef5254f7039c9f8297c3e68a76c1b80
https://doi.org/10.1515/znb-2003-1006
https://doi.org/10.1515/znb-2003-1006
Publikováno v:
Chemical Physics Letters. 379:11-19
The photoswitching of the dipole moment, absorption spectra and oxidation/reduction potentials of donor–acceptor-substituted dihydropyrene–[2,2]metacyclophanediene photochromic systems has been studied theoretically. Two types of basic structures
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1b447f6dd66f516adc4bfbfbed92a4ae
https://doi.org/10.1016/s0009-2614(03)01314-9
https://doi.org/10.1016/s0009-2614(03)01314-9