Search Results - "Minaeva, V. A"

Triplet state harvesting and search for forbidden transition intensity in the nitrogen molecule by Minaev, B. F, Panchenko, O. O, Minaeva, V. A, Ågren, H

“…Triplet excited states of the N 2 molecule play an important role in electric discharges through air or liquid nitrogen accompanied by various afterglows. In…”
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Fragmentation of the adenine and guanine molecules induced by electron collisions by Minaev, B F, Shafranyosh, M I, Svida, Yu Yu, Sukhoviya, M I, Shafranyosh, I I, Baryshnikov, G V, Minaeva, V A

“…Secondary electron emission is the most important stage in the mechanism of radiation damage to DNA biopolymers induced by primary ionizing radiation. These…”
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Comparative study of the structural and spectral properties of tetraaza- and tetraoxaannelated tetracirculenes by Minaeva, V. A., Karaush, N. N., Minaev, B. F., Baryshnikov, G. V., Chen, F., Tanaka, T., Osuka, A.

“…The IR spectrum of a recently synthesized tetraaza[8]circulene ( 4N ) molecule has been investigated and completely interpreted based on the calculation of the…”
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Identification of tautomeric intermediates of a novel thiazolylazonaphthol dye – A density functional theory study by Karaush, N.N., Minaeva, V.A., Baryshnikov, G.V., Minaev, B.F., Ågren, H.

“…The recently synthesized thiazolylazo dye, 1-[5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalene-2-ol called shortly BnTAN, is studied by density functional theory…”
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Calculation of the optical spectra of the copper(I) complex with triphenylphosphine, iodine, and 3-pyridine-2-yl-5-phenyl-1H-1,2,4-triazole by the DFT method by Minaeva, V. A., Minaev, B. F., Baryshnikov, G. V.

“…The IR and UV spectra of the [CuIL(PPh 3 )] complex (PPh 3 = triphenylphosphine, L = 3-pyridine- 2-yl-5-phenyl-1 Н -1,2,4-triazole) have been analyzed in…”
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The Electronic Structure and Spectra of Triphenylamines Functionalized by Phenylethynyl Groups by Baryshnikov, G. V., Minaeva, V. A., Minaev, B. F., Grigoras, M.

“…We study the features of the electronic structure and the IR, UV, and visible spectra of a series of triphenylamines substituted with phenylethynyl groups. The…”
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Analysis of the electronic, IR, and 1H NMR spectra of conjugated oligomers based on 4,4'-triphenylamine vinylene by Baryshnikov, G. V., Minaeva, V. A., Minaev, B. F., Sun, V.-H., Grigoras, M.

“…Two types of conjugated oligomers based on 4,4'-triphenylamine vinylene have been synthesized and characterized by the methods of IR, UV–visible, and 1 H NMR…”
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Synthesis and luminescent properties of copper(I) complexes with 3-pyridin-2-yl-5-(4-R-phenyl)-1H-1,2,4-triazoles by Gusev, A. N., Shul’gin, V. F., Minaev, B. F., Baryshnikov, G. V., Minaeva, V. A., Baryshnikova, A. T., Kiskin, M. A., Eremenko, I. L.

“…A series of heteroligand copper( I ) complexes with 3-pyridin-2-yl-5-(4-R-phenyl)-1 H -1,2,4-triazoles (R = H, CH 3 , CH 3 O) and PPh 3 of general composition…”
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Temperature effects in low-frequency Raman spectra of corticosteroid hormones by Minaeva, V. A., Minaev, B. F., Baryshnikov, G. V., Surovtsev, N. V., Cherkasova, O. P., Tkachenko, L. I., Karaush, N. N., Stromylo, E. V.

“…Experimental Raman spectra of the corticosteroid hormones corticosterone and desoxycorticosterone are recorded at different temperatures (in the range of…”
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Features of terahertz adsorption and Raman scattering of mineralocorticoid hormones by Minaeva, V. A., Cherkasova, O. P., Minaev, B. F., Baryshnikov, G. V., Khmara, A. V.

“…The steroid hormones corticosterone, deoxycorticosterone, deoxycorticosterone acetate, and corticosterone acetate are investigated by means of pulsed terahertz…”
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Study of IR spectrum of the testosterone and ethyniltestosterone by quantum-chemical density functional theory by Minaeva, V. A., Minaev, B. F., Kapinus, S. S.

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Stabilizing hydrogen-hydrogen interactions in cationic indopolycarbocyanine dyes by Baryshnikov, G. V., Minaev, B. F., Minaeva, V. A.

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DFT study on the Raman spectra of Fe(II)-porphin by Minaeva, V. A., Minaev, B. F., Hovorun, D. M.

“…DFT quantum-chemical calculations of the Raman spectra of Fe(II)-porphin in quintet (ground) state were performed. Spin-unrestricted UB3LYP functional in…”
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Study on models of O2 binding to heme using density functional theory by Minaev, B. F., Minaeva, V. A., Obushko, E. N., Hovorun, D. M.

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Study of IR spectrum of the 17β-estradiol using quantum-chemical density functional theory by Minaev, B. F., Minaeva, V. A.

“…The frequency and intensity of IR absorption bands of female sex hormone, 17?-estradiol, are calculated and assigned using density functional theory with the…”
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Quantum-chemical modelling radiation damage of DNA components during inelastic interaction with slow electrons. Desoxyribose irradiation by Minaev, B. F., Yevtukhov, Y. V., Minaeva, V. A.

“…The total energies and heat of formation of intermediates of the deoxyribose dissociation during its interaction with a monochromatic electron beam have been…”
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Electronic structure models of flavoproteides and mechanism of oxidases action by Minaev, B. F., Minaeva, V. A., Leschenko, V. N.

“…The electronic properties and structure of flavinadenindinucleotide (FAD) and flavinmononucleotide (FMN) and their simplified models have been calculated by…”
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The effect of a heteroatom on the structure and vibrational spectra of Heteroannulated tetraphenylenes by Minaeva, V. A., Baryshnikov, G. V., Minaev, B. F.

“…Based on calculations by the DFT method, we have theoretically compared IR absorption and Raman spectra of tetraoxa[8]circulene (4O) and its analogs that…”
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A comparative study of the electronic structure and spectra of tetraoxa[8]circulene and octathio[8]circulene by Karaush, N. N., Minaev, B. F., Baryshnikov, G. V., Minaeva, V. A.

“…The electronic structure and spectra of two highly symmetric molecules of circulenes, namely, tetraoxa[8]circulene and octathio[8]circulene, which belong to…”
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Experimental and theoretical study of IR and Raman spectra of tetraoxa[8]circulenes by Minaeva, Valentina A., Minaev, Boris F., Baryshnikov, Gleb V., Ågren, Hans, Pittelkow, Michael

“…The FTIR and Raman spectra of symmetrical derivatives of the tetraoxa[8]circulenes (D4h symmetry) series have been detected and the experimental data have been…”
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