Adélia J A Aquino

5PUBLICATIONS
32CO-AUTHORS
Metal organic frameworksTheoretical quantum chemistryNumerical computation and mathematical softwareCondensed matter modelling and density functional theory
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Publications (5)

|Mar 16, 2021
Reaction mechanism for fluorination reactions with hydroxylated alumina sites: Pathways promoting aluminum combustion.

Daniel Tunega, Michelle L Pantoya, Reed Nieman

|Jan 30, 2021
Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers.

Daniel C A Valente, Mariana T do Casal, Mario Barbatti

|Apr 10, 2020
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.

Hans Lischka, Ron Shepard, Thomas Müller

|Feb 03, 2020
Benchmark ab initio calculations on intermolecular structures and the exciton character of poly(p-phenylenevinylene) dimers.

Reed Nieman, Adelia J A Aquino, Hans Lischka

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