Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Ana Maria Hogea"'
Autor:
Gheorghe Surpateanu, Bogdan Vulturescu, Ana Maria Hogea, Georgiana G. Surpateanu, Christian Legrand, Patrice Woisel, Francine Cazier, Patrick Ropa
Publikováno v:
Progress in Organic Coatings. 53:106-111
The calculation of one-electron transfer energy ΔEt, by PM3 and DFT procedure methods permitted the construction of a quantum model of electrical conductivity in ylidic molecular systems. The experiments of conductivity have been performed using a g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2448a064bf92e83b2b0171e6c2fd83d9
https://doi.org/10.1016/j.porgcoat.2004.11.011
https://doi.org/10.1016/j.porgcoat.2004.11.011
Autor:
Gheorghe Surpateanu, Francine Cazier, Ana Maria Hogea, Christian Legrand, Marcel Popa, Georgiana G. Surpateanu, Patrice Woisel, Patrick Ropa
Publikováno v:
Journal of Molecular Structure. 699:31-37
For the first time we propose, in this paper, a quantum model of electrical conductivity of an ylide molecular system. The one-electron transfer energy ΔEt calculated by PM3 and DFT methods has been used as a quantitative appropriate parameter. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33b61c84c7d0c9290634292c82a029c2
https://doi.org/10.1016/j.molstruc.2004.04.029
https://doi.org/10.1016/j.molstruc.2004.04.029