Zobrazeno 1 - 1
of 1
pro vyhledávání: '"Segala Maxmiliano"'
Publikováno v:
Journal of the Brazilian Chemical Society, Vol 15, Iss 2, Pp 282-291 (2004)
We calculated valence-electron vertical ionization potentials (VIPs) of nine small molecules, plus uracil and C2F4, by several different methods: semiempirical HAM/3 and AM1 methods, different nonempirical DFT models such as uDI(B88-P86)/cc-pVTZ and
Externí odkaz:
https://doaj.org/article/0f1544d8f31e469f883af9006d347ef9
