Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Vladislav Izvekov"'
Publikováno v:
Chemical Physics. 335:205-214
The vibrational properties of two fluorophenol derivatives, 2-fluorophenol ( 1 ) and 2,3,5,6-tetrafluorohydroquinone ( 2 ), have been studied by FT-IR and FT-Raman spectroscopy. The spectra revealed the existence of two conformers for both compounds.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9c0f28e1f48057b2847cd8d9ff0931a2
https://doi.org/10.1016/j.chemphys.2007.04.018
https://doi.org/10.1016/j.chemphys.2007.04.018
Publikováno v:
The Journal of Physical Chemistry A. 105:5000-5009
The strong intramolecular hydrogen bonding in 9-hydroxyphenalen-1-one (1) has been investigated by means of quantum chemical calculations and vibrational spectroscopy. Both ab initio molecular orbital (MP2) and density functional theory (B3-LYP, B3-P
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::add0c1880a8e4fb7e92cbd2e9565b5ee
https://doi.org/10.1021/jp0045033
https://doi.org/10.1021/jp0045033
Publikováno v:
Journal of Molecular Structure. :249-252
FTIR spectra of uridine, thymidine, ribose, 2-deoxyribose and glucose were measured in the range of 4000–450 cm −1 in the low-temperature Ar and Ne matrices. The experimental conditions were optimized to exclude the thermal decomposition of these
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::46d69f19345e7b0b1112dd9a215b8080
https://doi.org/10.1016/s0022-2860(98)00665-6
https://doi.org/10.1016/s0022-2860(98)00665-6
Autor:
Attila Kovács, Vladislav Izvekov
Publikováno v:
Journal of Molecular Structure. :403-406
The FT-IR spectra of N,N-dimethylcarbamyl chloride (liquid and vapour phase) are reported for the first time. The interpretation of the spectra was based on a quantum chemical treatment using Pulay's scaled quantum mechanical (SQM) method. The initia
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::80dd62d6827ce45174bfeee71b1db577
https://doi.org/10.1016/s0022-2860(96)09696-2
https://doi.org/10.1016/s0022-2860(96)09696-2
Publikováno v:
Journal of Molecular Structure. :459-462
UV-induced isomerization of monomeric glycine and 2-hydroxypyrimidine in Kr, Ar and Ne matrices was investigated using Fourier transform infrared (FTIR) spectroscopy. The spectral bands of the three conformers of glycine and two tautomers of 2-hydrox
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dac41fa9bef1c64a2a882c229371aa24
https://doi.org/10.1016/s0022-2860(96)09554-3
https://doi.org/10.1016/s0022-2860(96)09554-3
Publikováno v:
The journal of physical chemistry. B. 112(18)
Infrared spectra of solid and aqueous solutions of N-acetyl-alpha-D-glucosamine and beta-D-glucuronic acid have been investigated by means of Fourier transform infrared (FT-IR) spectroscopy and quantum chemical density functional theory (DFT) calcula
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38173a062407826d4686a4654232b090
https://pubmed.ncbi.nlm.nih.gov/18412409
https://pubmed.ncbi.nlm.nih.gov/18412409
Publikováno v:
Journal of Physical Chemistry B; May2008, Vol. 112 Issue 18, p5728-5735, 8p