Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Yasen Velkov"'
Publikováno v:
Chemical Physics Letters. 476:147-150
We attempt to explain a puzzling long-tailed peak shape of the X-ray absorption spectrum of the oxygen molecule in the energy region around 539 eV taking into account the Rydberg-valence and vibron ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0816b833d745bdbf122bbf76b3f85f20
https://doi.org/10.1016/j.cplett.2009.06.016
https://doi.org/10.1016/j.cplett.2009.06.016
Publikováno v:
Chemical Physics Letters. 465:153-156
The aim of this work is to give a clarifying view of the ‘super-high resolution’ scheme employing X-ray absorption spectroscopy in the resonant scattering mode. If the idea is not applied carefully, unrealistic results, as ‘perfect’ resolutio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1538ed6ca6850ea2f4f28f09bdfc0635
https://doi.org/10.1016/j.cplett.2008.09.067
https://doi.org/10.1016/j.cplett.2008.09.067
Autor:
Yasen Velkov, Hans Ågren, Qinglin Zheng, Gulliver T. Dalton, Patrick Norman, John A. Gladysz, Marek Samoc, Mark G. Humphrey
Publikováno v:
Inorganic Chemistry. 47:9946-9957
The wavelength dependence of the cubic nonlinearity of ligated platinum-terminated polyynes trans, trans-{(p-MeC6H4)3P}2(p-MeC6H4)Pt(C[triple bond]C)n Pt(p-C6H4Me){P(p-C6H4Me)3}2 (n = 3-6, 8, 10, 12) has been examined by femtosecond Z-scan studies in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::836cee2dd09932f8c6c1d2ac97d8caca
https://doi.org/10.1021/ic801145c
https://doi.org/10.1021/ic801145c
Publikováno v:
Chemical Physics Letters. 453:117-121
A new scheme of X-ray pump–probe experiment is suggested in this Letter, namely resonant inelastic X-ray scattering accompanied by core-hole hopping induced by a strong laser field. In particular, we study the dynamics of X-ray Raman scattering of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3ddff906efbf4402f66675365a0e64c
https://doi.org/10.1016/j.cplett.2008.01.023
https://doi.org/10.1016/j.cplett.2008.01.023
Publikováno v:
International Journal of Quantum Chemistry. 107:1719-1735
Studies of insoluble monolayers built of phospholipids, various long-chained fatty acids, and their glycerin esters are the major source of our current knowledge about the relationship between monolayer composition and its physicochemical properties.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::47d05943b107d7927f266eecc9a7de0a
https://doi.org/10.1002/qua.21239
https://doi.org/10.1002/qua.21239
Publikováno v:
International Journal of Quantum Chemistry. 107:1765-1771
On the basis of ab initio and density functional theory (DFT) calculations of the o-coumaric amide and thioamide, the latter is found to have better delocalization. It is demonstrated that the thioamide function features stronger attraction for elect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dd3972ef22a4eeedfe9813166db2f308
https://doi.org/10.1002/qua.21234
https://doi.org/10.1002/qua.21234
Publikováno v:
Collection of Czechoslovak Chemical Communications. 71:691-697
The article describes the results of semiempirical quantum-chemical calculations for a series of 3',5'-esters of 5-bromo-2'-deoxyuridine with amino acids or peptides. These compounds were synthesized and tested for antiviral activity as potential pro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f9d91f4a0425d60275cb5cdad6e788bf
https://doi.org/10.1135/cccc20060691
https://doi.org/10.1135/cccc20060691
Publikováno v:
The Journal of chemical physics. 135(15)
The second-order algebraic construction (ADC(2)) approach to the two-particle (pp) propagator, devised to compute double ionization energies and associated spectroscopic amplitudes, is reformulated and extended using the concept of intermediate state
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ec02be58e9941c58b1ac0c90882b5fd
https://pubmed.ncbi.nlm.nih.gov/22029303
https://pubmed.ncbi.nlm.nih.gov/22029303
Autor:
Yusuke Tamenori, Tatsuo Kaneyasu, Eiji Shigemasa, Yasen Velkov, Faris Gel'mukhanov, Ji-Cai Liu, Yasumasa Hikosaka
Publikováno v:
Physical Review A. 79
We report both experimental and theoretical studies on x-ray absorption measured using partial Auger yields of gas phase nitrogen, carbon monoxide, and oxygen molecules near the N 1s ->pi(*), O 1s ->pi(*), and O 1s ->pi(*) regions, respectively. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::78661f52f8bc37432245346742505afd
https://doi.org/10.1103/physreva.79.022508
https://doi.org/10.1103/physreva.79.022508
Experimental and theoretical investigation of the antioxidant activity of melatonin is carried out. The theoretical approach comprises the evaluation of several appropriate descriptors of scavenging activity with the help of quantum-chemistry methods
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a6a915084f67db84b2f17c54ba4a0bf
