Artigos Publicados
Encontrados 3 resultados
Filtros: Autor é Rivelino, Roberto [Limpar todos os filtros]
A first principles approach to the electronic properties of liquid and supercritical CO2. The Journal of Chemical Physics. 142(2):024504.
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2015. Probing Lewis Acid–Base Interactions with Born–Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p -Nitroaniline in Supercritical CO 2. The Journal of Physical Chemistry B. 119(26):8397-8405.
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2015. Origin of the Red Shift for the Lowest Singlet π → π* Charge-Transfer Absorption of p -Nitroaniline in Supercritical CO 2. Journal of Chemical Theory and Computation. 10(4):1554-1562.
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2014.