Zobrazeno 1 - 10
of 42
pro vyhledávání: '"T G, Burova"'
Autor:
T. G. Burova, R. S. Shcherbakov
Publikováno v:
Optics and Spectroscopy. 122:397-401
Quantum-mechanical calculations of the intensity distribution in the resonance Raman spectrum of an aqueous solution of phenylalanine, excited by light with wavelengths of 193, 204, 218, and 235 nm, and in the nonresonant Raman spectrum excited at a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6dad244057bfd5b5ed25103d98791779
https://doi.org/10.1134/s0030400x17030055
https://doi.org/10.1134/s0030400x17030055
Publikováno v:
Biophysics. 59:214-219
For the first time the quantum-mechanical calculations of intensity distribution in the two-photon absorption spectra of the six tautomeric forms of cytosine were performed. It has been confirmed that in the aqueous solution of cytosine (pH 3.0) ther
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0ffaac2e2d7ac193378418c1ed4066fe
https://doi.org/10.1134/s0006350914020055
https://doi.org/10.1134/s0006350914020055
Publikováno v:
Biophysics. 59:206-213
For the first time the quantum-mechanical calculations of intensity distribution in the resonance hyper-Raman spectra of the six tautomeric forms of cytosine were performed. It has been confirmed that in the aqueous solution of cytosine (pH 3.0) ther
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::19cc6560483c3ba4efd38bace62430fe
https://doi.org/10.1134/s0006350914020043
https://doi.org/10.1134/s0006350914020043
Publikováno v:
Optics and Spectroscopy. 114:368-372
The relative intensities of lines in resonance Raman scattering spectra of isolated skatole and skatole-water complex have been calculated quantum mechanically. The influence of the intermolecular interaction on these spectra has been considered. Par
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2fc2f19c46815389f2be85b80fcc3416
https://doi.org/10.1134/s0030400x13030089
https://doi.org/10.1134/s0030400x13030089
Publikováno v:
Optics and Spectroscopy. 113:487-494
The structure of the first excited electronic states of indole has been calculated for the isolated state and aqueous solution. The vibrational spectra of isolated indole have been calculated by the DFT method in the harmonic and anharmonic approxima
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::adbdeed0e1e0aa112e39a68e32a5a1b2
https://doi.org/10.1134/s0030400x12090160
https://doi.org/10.1134/s0030400x12090160
Publikováno v:
Optics and Spectroscopy. 113:9-12
We have performed quantum-mechanical calculations of the two-photon absorption spectra of three tautomeric forms of adenine in the gas phase and of four forms in the aqueous solution. Based on a comparison of the results of these calculations with ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d688e7e60021745717bef3252ce7d623
https://doi.org/10.1134/s0030400x12060069
https://doi.org/10.1134/s0030400x12060069
Publikováno v:
Optics and Spectroscopy. 109:853-860
The resonance Raman spectra of adenine in the gas phase under excitation with laser radiation at wavelengths of 266, 218, and 200 nm have been investigated experimentally. The quantum-mechanical calculations of the intensity distribution in the reson
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3d4d8464b4c93d613be0845f46ac400
https://doi.org/10.1134/s0030400x10120076
https://doi.org/10.1134/s0030400x10120076
Publikováno v:
Optics and Spectroscopy. 109:845-852
The tautomeric composition of isolated adenine has been analyzed using computational IR spectroscopy. A comparison with experimental data has demonstrated that, in addition to adenine-N9H, which dominates in the quantitative content, two more tautome
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7c3203446a340f7dc43cf462b01593d8
https://doi.org/10.1134/s0030400x10120064
https://doi.org/10.1134/s0030400x10120064
Publikováno v:
Journal of Applied Spectroscopy. 77:502-509
Vibrational spectra of indole in the isolated state and in aqueous solution have been calculated using a B3LYP/6-311++G(d, p) method. The influence of water as a solvent on vibrational spectra of indole was examined with due regard for intermolecular
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::15b6db799df892885ffabe40c4ab6ac9
https://doi.org/10.1007/s10812-010-9360-2
https://doi.org/10.1007/s10812-010-9360-2
Autor:
T. G. Burova, A. A. Anashkin
Publikováno v:
Optics and Spectroscopy. 108:502-505
The quantum-mechanical method of calculating the relative intensities of lines in the spectra of resonant hyper-Raman scattering of polyatomic molecules in the Herzberg-Teller approximation is tested with respect to low-symmetry molecules. The method
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f570471f6361dc104da9cc999d04d9f0
https://doi.org/10.1134/s0030400x10040028
https://doi.org/10.1134/s0030400x10040028