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Adélia J. A. Aquino

Texas Tech University
Tianjin University
University of Vienna

175

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4151

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Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers.

2021 Journal of Chemical Physics
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Regulating magnesium combustion using surface chemistry and heating rate

2021 Combustion and Flame
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Quantum chemical investigation of the ground- and excited-state acidities of a dihydroxyfuranoflavylium cation

2021 Theoretical Chemistry Accounts
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Exploration of Graphene Defect Reactivity toward a Hydrogen Radical Utilizing a Preactivated Circumcoronene Model.

2021 Journal of Physical Chemistry A
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Ab initio calculation of the excited states of nitropyrenes

2021 Theoretical Chemistry Accounts
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Theoretical Study of O-CH3 Bond Dissociation Enthalpy in Anisole Systems.

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

2021 Journal of Chemical Physics
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Theoretical O–CH3 bond dissociation enthalpies of selected aromatic and non-aromatic molecules

2020 Theoretical Chemistry Accounts
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Benchmark ab initio calculations on intermolecular structures and the exciton character of poly(p-phenylenevinylene) dimers

2020 Journal of Chemical Physics
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The Interplay of Biradicaloid Character and Singlet/Triplet Energy Splitting for Cis-/Trans-diindenoacenes and Related Benzothiophene-Capped Oligomers as Revealed by Extended Multireference Calculations

2020 Journal of Organic Chemistry
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Citations (8)