Julio C V Chagas

7PUBLICATIONS
26CO-AUTHORS
Theoretical quantum chemistryElectrochemical energy storage and conversionQuantum computationPhotonics, optoelectronics and optical communicationsFunctional materials
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Publications (7)

|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

|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

|Apr 01, 2025
Low-lying excited states of linear all-trans polyenes: the σ-π electron correlation and the description of ionic states.

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

|Jan 20, 2025
Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN Doping.

Luan G F Dos Santos, Julio C V Chagas, Luiz F A Ferrão

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Frequent Collaborators

7 joint publications

Adelia J A Aquino

7 joint publications

Hans Lischka

7 joint publications

Francisco B C Machado

5 joint publications

Luan G F Dos Santos