Adélia J A Aquino

46PUBLICATIONS
68CO-AUTHORS
Reaction engineering (excl. nuclear reactions)Theoretical quantum chemistryElectrochemical energy storage and conversionPolymerisation mechanismsQuantum computation
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Publications (46)

|Jul 08, 2026
Modeling DOTA Decarboxylation in the Context of α-Radiolysis Using DFT Calculations.

|May 04, 2026
Low-Lying Excited States of Linear All-Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction.

|Feb 09, 2026
Tuning Heptazine-Based g‑C3N4 Structures for Photocatalysis by Enhancing Chemical Stability and Electron-Hole Pair Separation: A Computational Study.

Leticia C S Faria, Aditya N Raju, Julio C V Chagas

|Sep 24, 2025
Acetylene-Linked Phenalenyl Oligomers as a Creative Source of Extended Polyradical Character.

Jhonatas R Carvalho, Reed Nieman, Adelia J A Aquino

|Jul 08, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics.

Felix Plasser, Hans Lischka, Ron Shepard

|May 21, 2025
Charge transfer within excited states of boron/nitrogen doped polycyclic aromatic hydrocarbons.

Luan G F Dos Santos, Julio C V Chagas, Reed Nieman

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Frequent Collaborators

36 joint publications

Hans Lischka

15 joint publications

Francisco B C Machado

12 joint publications

Reed Nieman

7 joint publications

Julio C V Chagas