A complete basis set study of the lowest n–π* and π–π* electronic transitions of acrolein in explicit water environment.

Autor: Bistafa, Carlos1 (AUTHOR) bistafa@if.usp.br, Modesto-Costa, Lucas1,2 (AUTHOR), Canuto, Sylvio1 (AUTHOR)
Zdroj: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. May2016, Vol. 135 Issue 5, p1-7. 7p.
Databáze: Academic Search Ultimate
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