Adélia J A Aquino (Adelia J A Aquino)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 37

Top Topics

Density Functional Theory

Polycyclic Aromatic Hydrocarbons

Energy Transfer

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

The Journal of organic chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Jacob Culvyhouse, Daniel K Unruh, Hans Lischka, Adélia J A Aquino, Clemens Krempner
Facile Access to Organostibines via Selective Organic Superbase Catalyzed Antimony-Carbon Protonolysis. Angewandte Chemie (International ed. in English) (2024)
Jacob Culvyhouse, Daniel K Unruh, Hans Lischka, Adélia J A Aquino, Clemens Krempner
Facile Access to Organostibines via Selective Organic Superbase Catalyzed Antimony-Carbon Protonolysis. Angewandte Chemie (International ed. in English) 63 (32) (2024)
Julio C V Chagas, Bruno D Milanez, Vytor P Oliveira, Max Pinheiro Júnior, Luiz F A Ferrão, Adélia J A Aquino, Hans Lischka, Francisco B C Machado
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects. Journal of computational chemistry 45 (12) (2023)
Julio C V Chagas, Bruno D Milanez, Vytor P Oliveira, Max Pinheiro Júnior, Luiz F A Ferrão, Adélia J A Aquino, Hans Lischka, Francisco B C Machado
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects. Journal of computational chemistry (2023)
Itamar Borges, Roberta M P O Guimarães, Gabriel Monteiro-de-Castro, Nathália M P Rosa, Reed Nieman, Hans Lischka, Adélia J A Aquino
A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents. Journal of computational chemistry (2023)
Umut Ozuguzel, Adélia J A Aquino, Reed Nieman, Shelley D Minteer, Carol Korzeniewski
Resonance Raman spectra and excited state properties of methyl viologen and its radical cation from time-dependent density functional theory. Journal of computational chemistry (2023)
Julio C V Chagas, Bruno D Milanez, Vytor P Oliveira, Max Pinheiro Júnior, Luiz F A Ferrão, Adélia J A Aquino, Hans Lischka, Francisco B C Machado
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects. Journal of computational chemistry (2023)
Reed Nieman, Jhonatas R Carvalho, Bhumika Jayee, Andreas Hansen, Adélia J A Aquino, Miklos Kertesz, Hans Lischka
Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density analysis. Physical chemistry chemical physics : PCCP (2023)
Luiz F A Ferrão, Marcelo A P Pontes, Gabriel F S Fernandes, Fernanda Bettanin, Adélia J A Aquino, Hans Lischka, Dana Natchigallová, Francisco B C Machado
Stability and Reactivity of the Phenalene and Olympicene Isomers. The journal of physical chemistry. A (2023)
Reed Nieman, Vytor P Oliveira, Bhumika Jayee, Adélia J A Aquino, Francisco B C Machado, Hans Lischka
High-Level Multireference Investigations on the Electronic States in Single-Vacancy (SV) Graphene Defects Using a Pyrene-SV Model. The journal of physical chemistry. A (2023)
Mahdi Aarabi, János Sarka, Ankit Pandey, Reed Nieman, Adélia J A Aquino, Juergen Eckert, Bill Poirier
Quantum Dynamical Investigation of Dihydrogen-Hydride Exchange in a Transition-Metal Polyhydride Complex. The journal of physical chemistry. A (2023)
Rafael S Mattos, Irene Burghardt, Adélia J A Aquino, Thiago Messias Cardozo, Hans Lischka
On the Cooperative Origin of Solvent-Enhanced Symmetry-Breaking Charge Transfer in a Covalently Bound Tetracene Dimer Leading to Singlet Fission. Journal of the American Chemical Society 144 (51) (2022)
Chamila P Manankandayalage, Nandakumar Katakam, Daniel K Unruh, Adélia J A Aquino, Clemens Krempner
Intramolecular frustrated Lewis pair mediated approach to the CO bond activation and cleavage of carbon dioxide. Chemical communications (Cambridge, England) 58 (67) (2022)
Rafael S Mattos, Irene Burghardt, Adélia J A Aquino, Thiago Messias Cardozo, Hans Lischka
On the Cooperative Origin of Solvent-Enhanced Symmetry-Breaking Charge Transfer in a Covalently Bound Tetracene Dimer Leading to Singlet Fission. Journal of the American Chemical Society (2022)
Yingchao Li, Adélia J A Aquino, Farhan Siddique, Thomas A Niehaus, Hans Lischka, Dana Nachtigallová
Pathways to fluorescence via restriction of intramolecular motion in substituted tetraphenylethylenes. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Kelsea K Miller, Armando de Rezende, Adélia J A Aquino, Daniel Tunega, Michelle L Pantoya
Adsorption and exchange reactions of iodine molecules at the alumina surface: modelling alumina-iodine reaction mechanisms. Physical chemistry chemical physics : PCCP 24 (19) (2022)
Guanzhao Wu, Yangxue Liu, Zhen Yang, Liulei Ma, Yao Tang, Xianliang Zhao, Hossein Rouh, Qixuan Zheng, Peng Zhou, Jia-Yin Wang, Farhan Siddique, Sai Zhang, Shengzhou Jin, Daniel Unruh, Adélia J A Aquino, Hans Lischka, Kristin M Hutchins, Guigen Li
Triple-Columned and Multiple-Layered 3D Polymers: Design, Synthesis, Aggregation-Induced Emission (AIE), and Computational Study. Research (Washington, D.C.) 2021 (2021)
Rui Li, Tianshu Du, Jingxing Liu, Adélia J A Aquino, Jianyu Zhang
Theoretical Study of O-CH3 Bond Dissociation Enthalpy in Anisole Systems. ACS omega 6 (34) (2021)
Yingchao Li, Farhan Siddique, Adélia J A Aquino, Hans Lischka
Molecular Dynamics Simulation of the Excited-State Proton Transfer Mechanism in 3-Hydroxyflavone Using Explicit Hydration Models. The journal of physical chemistry. A 125 (26) (2021)
Reed Nieman, Adélia J A Aquino, Hans Lischka
Exploration of Graphene Defect Reactivity toward a Hydrogen Radical Utilizing a Preactivated Circumcoronene Model. The journal of physical chemistry. A 125 (5) (2021)
Reed Nieman, Nadeesha J Silva, Adélia J A Aquino, Michael M Haley, Hans Lischka
Interplay of Biradicaloid Character and Singlet/Triplet Energy Splitting for cis-/trans-Diindenoacenes and Related Benzothiophene-Capped Oligomers as Revealed by Extended Multireference Calculations. The Journal of organic chemistry 85 (5) (2020)
Bo Liu, Adélia J A Aquino, Dana Natchigallová, Hans Lischka
Doping Capabilities of Fluorine on the UV Absorption and Emission Spectra of Pyrene-Based Graphene Quantum Dots. The journal of physical chemistry. A 124 (52) (2020)
Farhan Siddique, Mario Barbatti, Zhong-Hua Cui, Hans Lischka, Adélia J A Aquino
Nonadiabatic Dynamics of Charge-Transfer States Using the Anthracene-Tetracyanoethylene Complex as a Prototype. The journal of physical chemistry. A 124 (17) (2020)
Jorge Escorihuela, Wilhelmus J E Looijen, Xiao Wang, Adélia J A Aquino, Hans Lischka, Han Zuilhof
Cycloaddition of Strained Cyclic Alkenes and Ortho-Quinones: A Distortion/Interaction Analysis. The Journal of organic chemistry 85 (21) (2020)
Baimei Shi, Dana Natchigallová, Adélia J A Aquino, Francisco B C Machado, Hans Lischka
High-level theoretical benchmark investigations of the UV-vis absorption spectra of paradigmatic polycyclic aromatic hydrocarbons as models for graphene quantum dots. The Journal of chemical physics 150 (12) (2019)
Nadeesha J Silva, Daniel Tunega, Carol Korzeniewski, Hans Lischka, Adélia J A Aquino
Microhydration of Polymer Electrolyte Membranes: A Comparison of Hydrogen-Bonding Networks and Spectral Properties of Nafion and Bis[(perfluoroalkyl)sulfonyl] Imide. The journal of physical chemistry. B 123 (46) (2019)
Baimei Shi, Dana Natchigallová, Adélia J A Aquino, Francisco B C Machado, Hans Lischka
Emission Energies and Stokes Shifts for Single Polycyclic Aromatic Hydrocarbon Sheets in Comparison to the Effect of Excimer Formation. The journal of physical chemistry letters 10 (18) (2019)
Rui-Xue Chen, Adélia J A Aquino, Andrew C-H Sue, Thomas A Niehaus, Hans Lischka
Characterization of Charge Transfer in Excited States of Extended Clusters of π-Stacked Donor and Acceptor Complexes in Lock-Arm Supramolecular Ordering. The journal of physical chemistry. A 123 (21) (2019)
Hans Lischka, Dana Natchigallová, Adélia J A Aquino, Péter G Szalay, Felix Plasser, Francisco B C Machado, Mario Barbatti
Multireference Approaches for Excited States of Molecules. Chemical reviews 118 (15) (2018)
Farhan Siddique, Cassio P Silva, Gustavo Thalmer de Medeiros Silva, Hans Lischka, Frank H Quina, Adélia J A Aquino
The electronic transitions of analogs of red wine pyranoanthocyanin pigments. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 18 (1) (2018)
Max Pinheiro Júnior, Luiz F A Ferrão, Fernanda Bettanin, Adélia J A Aquino, Francisco B C Machado, Hans Lischka
How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen. Physical chemistry chemical physics : PCCP 19 (29) (2018)
Thiago Messias Cardozo, Andre Pessoa Galliez, Itamar Borges, Felix Plasser, Adélia J A Aquino, Mario Barbatti, Hans Lischka
Dynamics of benzene excimer formation from the parallel-displaced dimer. Physical chemistry chemical physics : PCCP 21 (26) (2018)
Max Pinheiro Júnior, Anita Das, Adélia J A Aquino, Hans Lischka, Francisco B C Machado
Interplay between Aromaticity and Radicaloid Character in Nitrogen-Doped Oligoacenes Revealed by High-Level Multireference Methods. The journal of physical chemistry. A 122 (49) (2018)
Shiyue Zhou, Yifan Huang, Xue Dong, Wenjing Peng, Lucas Veillon, Daniel A S Kitagawa, Adélia J A Aquino, Yehia S Mechref
Isomeric Separation of Permethylated Glycans by Porous Graphitic Carbon (PGC)-LC-MS/MS at High Temperatures. Analytical chemistry 89 (12) (2017)
Fernanda Bettanin, Luiz F A Ferrão, Max Pinheiro, Adélia J A Aquino, Hans Lischka, Francisco B C Machado, Dana Natchigallová
Singlet La and Lb Bands for N-Acenes (N = 2-7): A CASSCF/CASPT2 Study. Journal of chemical theory and computation 13 (9) (2017)
Richa Padhye, Adélia J A Aquino, Daniel Tunega, Michelle L Pantoya
Fluorination of an Alumina Surface: Modeling Aluminum-Fluorine Reaction Mechanisms. ACS applied materials & interfaces 9 (28) (2017)
Jorge Escorihuela, Anita Das, Wilhelmus J E Looijen, Floris L van Delft, Adélia J A Aquino, Hans Lischka, Han Zuilhof
Kinetics of the Strain-Promoted Oxidation-Controlled Cycloalkyne-1,2-quinone Cycloaddition: Experimental and Theoretical Studies. The Journal of organic chemistry 83 (1) (2017)