Zobrazeno 1 - 10
of 36
pro vyhledávání: '"T. A. Moskovskaya"'
Autor:
D. Yu. Soshnikov, Nadezhda M. Vitkovskaya, Alexandra M. Belogolova, Boris A. Trofimov, T. E. Moskovskaya
Publikováno v:
Russian Chemical Bulletin. 66:2241-2247
For the purpose of investigation of the electronic structures of functionalized pyrroles with potential biological activity the electronic structures and ionization spectra of S-cis-(Z)-2-(2-formylethenyl)pyrrole (FP) were calculated by the propagato
Autor:
Jochen Schirmer, Gemma Vall-llosera, E. V. Gromov, Irina L. Zaytseva, Vitaliy Feyer, Oksana Plekan, Kevin C. Prince, Marcello Coreno, Alexander B. Trofimov, Robert Richter, T. E. Moskovskaya
Publikováno v:
The journal of physical chemistry. A 113 (2009): 9376–9385. doi:10.1021/jp903209t
info:cnr-pdr/source/autori:Plekan, O [ 1,2 ] ; Feyer, V [ 1 ] ; Richter, R [ 1 ] ; Coreno, M [ 3 ] ; Vail-Ilosera, G[ 4 ] ; Prince, KC [ 1,5 ] ; Trofimov, AB [ 6,7 ] ; Zaytseva, IL [ 6 ] ; Moskovskaya, TE [ 6 ] ; Gromov, EV [ 6,8 ] ; Schirmer, J [ 8 ]/titolo:An experimental and theoretical core-level study of tautomerism in guanine/doi:10.1021%2Fjp903209t/rivista:The journal of physical chemistry. A/anno:2009/pagina_da:9376/pagina_a:9385/intervallo_pagine:9376–9385/volume:113
info:cnr-pdr/source/autori:Plekan, O [ 1,2 ] ; Feyer, V [ 1 ] ; Richter, R [ 1 ] ; Coreno, M [ 3 ] ; Vail-Ilosera, G[ 4 ] ; Prince, KC [ 1,5 ] ; Trofimov, AB [ 6,7 ] ; Zaytseva, IL [ 6 ] ; Moskovskaya, TE [ 6 ] ; Gromov, EV [ 6,8 ] ; Schirmer, J [ 8 ]/titolo:An experimental and theoretical core-level study of tautomerism in guanine/doi:10.1021%2Fjp903209t/rivista:The journal of physical chemistry. A/anno:2009/pagina_da:9376/pagina_a:9385/intervallo_pagine:9376–9385/volume:113
The core level photoemission and near edge X-ray photoabsorption spectra of guanine in the gas phase have been measured and the results interpreted with the aid of high level ab initio calculations. Tautomers are clearly identified spectroscopically,
Publikováno v:
Chemistry of Heterocyclic Compounds. 44:1101-1112
The ionization spectra of furan, pyrrole, thiophene, and selenophene have been calculated within the framework of the nonempirical quantum-chemical method with the Green's one-particle function in the approximation of the third order algebraic diagra
Autor:
J. D. Thrower, L. Karlsson, Ivan Powis, Fredrik Bruhn, T. E. Moskovskaya, Anthony W. Potts, Jochen Schirmer, Alexander B. Trofimov, D.M.P. Holland
Publikováno v:
Aarhus University
The photoelectron spectrum of hydrogen selenide has been recorded using synchrotron radiation in the photon energy range 15–110 eV and the inner valence region has been studied in detail for the first time. Green’s function methods have been empl
Publikováno v:
The Journal of Chemical Physics. 113:6716-6723
The group of three lowest singlet C 1s-excited states of formaldehyde H2CO is studied theoretically. The equilibrium geometries are determined at the restricted open-shell Hartree–Fock (ROHF) level and refined total energies are obtained using the
Autor:
T. E. Moskovskaya, E. V. Gromov, Nadezhda M. Vitkovskaya, Alexander B. Trofimov, Jochen Schirmer
Publikováno v:
Journal of Structural Chemistry. 41:483-494
An effective ab initio approach to core-level electronic spectral studies is discussed. The approach uses polarization propagator theory in a second-order algebraic diagram construction ADC(2) approximation for calculating the characteristics of elec
Autor:
Dmitriy Yu. Soshnikov, T. E. Moskovskaya, Robert Richter, Kevin C. Prince, Alexander B. Trofimov, Vitaliy Feyer, Irina L. Zaytseva, Marcello Coreno, Oksana Plekan, A. Moise
Publikováno v:
The journal of physical chemistry. A 116 (2012): 5653–5664. doi:10.1021/jp300459p
info:cnr-pdr/source/autori:O. Plekan, V. Feyer, R. Richter, A. Moise, M. Coreno, K.C. Prince, I.L. Zaytseva, T.E. Moskovskaya, D.Y. Soshnikov, A.B. Trofimov/titolo:X-ray Spectroscopy of Heterocyclic Biochemicals: Xanthine, Hypoxanthine, and Caffeine/doi:10.1021%2Fjp300459p/rivista:The journal of physical chemistry. A/anno:2012/pagina_da:5653/pagina_a:5664/intervallo_pagine:5653–5664/volume:116
The journal of chemical physics 116, 5653-5664 (2012). doi:10.1021/jp300459p
info:cnr-pdr/source/autori:O. Plekan, V. Feyer, R. Richter, A. Moise, M. Coreno, K.C. Prince, I.L. Zaytseva, T.E. Moskovskaya, D.Y. Soshnikov, A.B. Trofimov/titolo:X-ray Spectroscopy of Heterocyclic Biochemicals: Xanthine, Hypoxanthine, and Caffeine/doi:10.1021%2Fjp300459p/rivista:The journal of physical chemistry. A/anno:2012/pagina_da:5653/pagina_a:5664/intervallo_pagine:5653–5664/volume:116
The journal of chemical physics 116, 5653-5664 (2012). doi:10.1021/jp300459p
The electronic structures of the purine derivatives xanthine, hypoxanthine and caffeine have been investigated in the gas phase using C, N, and O 1s X-ray photoemission (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. The re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4511b01e1884b76b60dd1ec54531a2fe
Autor:
Alexander B. Trofimov, Dmitriy Yu. Soshnikov, Kevin C. Prince, Irina L. Zaytseva, Vitaliy Feyer, T. E. Moskovskaya, Oksana Plekan, Antti Kivimäki
Publikováno v:
The journal of physical chemistry. A 115 (2011): 7722–7733. doi:10.1021/jp2017506
info:cnr-pdr/source/autori:Vitaliy Feyer; Oksana Plekan; Antti Kivimäki; Kevin C. Prince; Tatyana E. Moskovskaya; Irina L. Zaytseva; Dmitriy Yu. Soshnikov; Alexander B. Trofimov/titolo:Comprehensive Core-Level Study of the Effects of Isomerism, Halogenation, and Methylation on the Tautomeric Equilibrium of Cytosine/doi:10.1021%2Fjp2017506/rivista:The journal of physical chemistry. A/anno:2011/pagina_da:7722/pagina_a:7733/intervallo_pagine:7722–7733/volume:115
info:cnr-pdr/source/autori:Vitaliy Feyer; Oksana Plekan; Antti Kivimäki; Kevin C. Prince; Tatyana E. Moskovskaya; Irina L. Zaytseva; Dmitriy Yu. Soshnikov; Alexander B. Trofimov/titolo:Comprehensive Core-Level Study of the Effects of Isomerism, Halogenation, and Methylation on the Tautomeric Equilibrium of Cytosine/doi:10.1021%2Fjp2017506/rivista:The journal of physical chemistry. A/anno:2011/pagina_da:7722/pagina_a:7733/intervallo_pagine:7722–7733/volume:115
Core-level X-ray photoemission and near-edge X-ray absorption fine structure spectra of 5-methylcytosine, 5-fluorocytosine, and isocytosine are presented and discussed with the aid of high-level ab initio calculations. The effects of the methylation,
Autor:
Vitaliy Feyer, Gemma Vall-llosera, Kevin C. Prince, E. V. Gromov, Jochen Schirmer, Alexander B. Trofimov, Irina L. Zaytseva, Robert Richter, T. E. Moskovskaya, Marcello Coreno, Oksana Plekan
Publikováno v:
The journal of physical chemistry. A 113 (2009): 5736–5742. doi:10.1021/jp900998a
info:cnr-pdr/source/autori:V. Feyer a; O. Plekan a; R. Richter a; M. Coreno b; G. Vall-llosera c; K.C. Prince a,d; A. B. Trofimov e; I.L. Zaytseva e; T.E. Moskovskaya e; E.V. Gromov e; J. Schirmer f/titolo:Tautomerism in cytosine and uracil: An experimental and theoretical core level spectroscopic study/doi:10.1021%2Fjp900998a/rivista:The journal of physical chemistry. A/anno:2009/pagina_da:5736/pagina_a:5742/intervallo_pagine:5736–5742/volume:113
info:cnr-pdr/source/autori:V. Feyer a; O. Plekan a; R. Richter a; M. Coreno b; G. Vall-llosera c; K.C. Prince a,d; A. B. Trofimov e; I.L. Zaytseva e; T.E. Moskovskaya e; E.V. Gromov e; J. Schirmer f/titolo:Tautomerism in cytosine and uracil: An experimental and theoretical core level spectroscopic study/doi:10.1021%2Fjp900998a/rivista:The journal of physical chemistry. A/anno:2009/pagina_da:5736/pagina_a:5742/intervallo_pagine:5736–5742/volume:113
The O, N, and C 1s core level photoemission spectra of the nucleobases cytosine and uracil have been measured in the vapor phase, and the results have been interpreted via theoretical calculations. Our calculations accurately predict the relative bin
Autor:
T. É. Moskovskaya, G. A. Kalabin, N. M. Vitkovskaya, S. V. Zinchenko, A. G. Proidakov, Leonid B. Krivdin
Publikováno v:
Journal of Structural Chemistry. 32:59-64