Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Helene Möllerstedt"'
Publikováno v:
Chemistry - A European Journal. 19:10698-10707
A density functional theory study on olefins with five-membered monocyclic 4n and 4n+2 π-electron substituents (C4H3X; X=CH(+), SiH(+), BH, AlH, CH2, SiH2, O, S, NH, and CH(-)) was performed to assess the connection between the degree of substituent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a1930b92e683c776cb865420629ac5e8
https://doi.org/10.1002/chem.201300008
https://doi.org/10.1002/chem.201300008
Publikováno v:
The Journal of Physical Chemistry A. 105:4071-4083
Nonlocal gradient-corrected and hybrid density functional theory (DFT) have been used to calculate T1 potential energy surfaces (PES), spin densities, and geometries of ethylene and aromatic olefins of various sizes: ethylene (1), styrene (2), stilbe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bada1ee68687f860690c6d834373dd91
https://doi.org/10.1021/jp0034022
https://doi.org/10.1021/jp0034022
Autor:
Olof Wennerström, Helene Möllerstedt
Publikováno v:
Journal of Photochemistry and Photobiology A: Chemistry. 139:37-43
In an experimental study of catalyzed photosensitized cis–trans isomerization of 1-(3,5-di-tertbutylstyryl)pyrene, three different catalysts, anthracene, 9-methylanthracene and 9,10-di-chloroanthracene were used. The most efficient catalytic proces
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::64fdaad4601deccb27e56dd70690d77a
https://doi.org/10.1016/s1010-6030(00)00419-6
https://doi.org/10.1016/s1010-6030(00)00419-6
Publikováno v:
Journal of the American Chemical Society. 126:13938-13939
On the basis of the theory of Baird on reversal of Hückel's rule for aromaticity and antiaromaticity of annulenes when going from the electronic ground state (S0) to the lowest pipi* triplet state (T1) (J. Am. Chem. Soc. 1972, 94, 4941), we argue th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a42d4d3498f18fc592c5a5aa80c43f16
https://doi.org/10.1021/ja045729c
https://doi.org/10.1021/ja045729c