Zobrazeno 1 - 10
of 13
pro vyhledávání: '"K. E. Uspenskiy"'
Publikováno v:
Series Physics. 16:97-102
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a42de116a3f76030508aeb9772e977fe
https://doi.org/10.18500/1817-3020-2016-16-2-97-102
https://doi.org/10.18500/1817-3020-2016-16-2-97-102
Publikováno v:
Journal of Applied Spectroscopy. 76:791-800
Using a density functional B3LYP/6-31G(d) method, the geometry, electro-optical parameters, quartic force field, and vibrational spectra (IR and Raman) of 2-biphenylmethanol have been calculated. A vibrational analysis was performed. The resulting IR
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9779c78dfcab20ef97a454ec3e0d496e
https://doi.org/10.1007/s10812-010-9281-0
https://doi.org/10.1007/s10812-010-9281-0
Publikováno v:
Izvestiya of Saratov University. New series. Series: Physics. 9:19-28
Добавление/7-функций в базис 6-31G(d)не привело к улучшению точности расчетовдля молекулы метил-Р-Б-глюкопиранозида.Сравнение результатов
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eda88f6c4cfbf57b08d9a9175f33b904
https://doi.org/10.18500/1817-3020-2009-9-2-19-28
https://doi.org/10.18500/1817-3020-2009-9-2-19-28
Publikováno v:
Journal of Molecular Structure. :68-72
Hydrogen-bonded complex of 2-biphenylmethanol molecules in solid state was optimized using the density functional method (B3LYP/6-31G*). The structures, energies, dipole moments, polarizabilities, frequencies of the normal modes in the harmonic appro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::85c4890704b80f3468d2dcda1d2bd9b0
https://doi.org/10.1016/j.molstruc.2006.01.067
https://doi.org/10.1016/j.molstruc.2006.01.067
Publikováno v:
Journal of Molecular Structure. :73-77
The Raman spectrum (7–3400 cm−1) measured for a metastable β-phase of benzophenone is reported for the first time. The Raman spectra measured during the structural phase transition between the metastable β-phase and the stable α-phase (in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d5774769b0584eab117c4598cc85db3d
https://doi.org/10.1016/j.molstruc.2005.12.050
https://doi.org/10.1016/j.molstruc.2005.12.050
Publikováno v:
Journal of Molecular Structure. :433-438
The crystal structure of 2-biphenylmethanol has been studied by X-ray crystallography at room temperature and its IR transmittance spectra have been measured in the wide frequency region 400–4000 cm −1 . The structure, energy, electrooptical para
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b163212a80b8a20d07221ea5a36554ba
https://doi.org/10.1016/j.molstruc.2004.10.056
https://doi.org/10.1016/j.molstruc.2004.10.056
Autor:
Tamara V. Bezrodnaya, Lev M. Babkov, K. E. Uspenskiy, Valentina V. Shimanovskaya, G. A. Puchkovskaya
Publikováno v:
SPIE Proceedings.
Investigation of benzophenone (BP)-TiO 2 and 4-amyl-4-cyanobiphenyl (5CB)-TiO 2 bicomponent mixtures by vibrational spectroscopy and quantum mechanical methods was carried out. IR spectra of BP-TiO 2 and 5CB-TiO 2 were measured in 400-3800 cm -1 re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::949e9cb9ee96526b0e840c09628c6601
https://doi.org/10.1117/12.754460
https://doi.org/10.1117/12.754460
Publikováno v:
SPIE Proceedings.
In connection with experimental IR spectra of the 2-, 3-, and 4-biphenylmethanols in solid crystal state the presence of the hydrogen bond in their samples was found. Using the density functional theory (B3LYP/6-31G*), the following parameters of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::530c917d1851332794bc725d3b5dd6de
https://doi.org/10.1117/12.754457
https://doi.org/10.1117/12.754457
Publikováno v:
Известия Саратовского университета. Новая серия. Серия Физика.
* Saratov State University E-mail: babkov@sgu.ru *Institute of Physics, NAS of Ukraine, Kiev E-mail: puchkov@iop.kiev.ua Regarding the IR spectra of the solid samples of titanium dioxide-benzophenone and titanium dioxide-4-amil-4’-cyanobiphenyl het
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c4697b6901cd281eba18a29f37c5ead
http://cyberleninka.ru/article/n/the-h-bond-and-near-surface-layer-structure-in-bicomponent-heterosystems-on-the-basis-of-titanium-dioxide-nano-particles
http://cyberleninka.ru/article/n/the-h-bond-and-near-surface-layer-structure-in-bicomponent-heterosystems-on-the-basis-of-titanium-dioxide-nano-particles
Publikováno v:
Известия Саратовского университета. Новая серия. Серия Физика.
Using density functional method (B3LYP/6-31G*), the structures of the biphenylmethanols, their h-bond complexes and methanol h-bond complexes, energies, dipole moments, polarizabilities, frequencies of normal vibrations (in harmonic approximation) an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e5472508b5929073a79cd1b06572daa
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