Search Results - "Alves, Rodolpho L. R."

Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Qat Diagnostic by do Monte, Silmar A, Spada, Rene F K, Alves, Rodolpho L R, Belcher, Lachlan, Shepard, Ron, Lischka, Hans, Plasser, Felix

“…The complete active space self-consistent field (CASSCF) method is a cornerstone in modern excited-state quantum chemistry providing the starting point for…”
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Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Q a t Diagnostic by do Monte, Silmar A., Spada, Rene F. K., Alves, Rodolpho L. R., Belcher, Lachlan, Shepard, Ron, Lischka, Hans, Plasser, Felix

“…The complete active space self-consistent field (CASSCF) method is a cornerstone in modern excited-state quantum chemistry providing the starting point for…”
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The kinetics of three coupled irreversible elementary reactions: two parallel mixed second order reactions followed by a first order reaction by Ventura, E., Alves, Rodolpho L. R., do Monte, Silmar A.

“…A semi-analytical solution for the time dependence of the concentration of the intermediate is derived, in the case of two parallel mixed second order…”
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