Kaline Coutinho (K Coutinho)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 18

Top Topics

Aqueous Solution

Electron Transfer

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

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

Publications

Matheus B Kiataki, Marcio T do N Varella, Kaline Coutinho, Franck Rabilloud
Novel Approach for Predicting Vertical Electron Attachment Energies in Bulk-Solvated Molecules. Journal of chemical theory and computation 20 (11) (2024)
Matheus B Kiataki, Marcio T do N Varella, Kaline Coutinho, Franck Rabilloud
Novel Approach for Predicting Vertical Electron Attachment Energies in Bulk-Solvated Molecules. Journal of chemical theory and computation (2024)
Leandro Rezende Franco, Kalil Cristhian Figueiredo Toledo, Carlos Moyses Araujo, C Moyses Araujo, Koiti Araki, Kaline Coutinho
Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution. Physical chemistry chemical physics : PCCP (2023)
Alexsander C Vendite, Thereza A Soares, Kaline Coutinho
The Effect of Surface Composition on the Selective Capture of Atmospheric CO 2 by ZIF Nanoparticles: The Case of ZIF-8. Journal of chemical information and modeling (2022)
Leandro Rezende Franco, Peter Park, Hernan Chaimovich, Kaline Coutinho, Iolanda Midea Cuccovia, Filipe da Silva Lima
Simulations reveal that antimicrobial BP100 induces local membrane thinning, slows lipid dynamics and favors water penetration. RSC advances 12 (8) (2022)
Leandro Rezende Franco, Kalil Cristhian Figueiredo Toledo, Tiago Araujo Matias, Paola Andrea Benavides, Henrique Musseli Cezar, Carlos Moyses Araujo, Kaline Coutinho, Koiti Araki
Unraveling the acid-base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand. Physical chemistry chemical physics : PCCP 24 (17) (2022)
Mateus Bergami, Andre L D Santana, Jorge Charry Martinez, Andres Reyes, Kaline Coutinho, Marcio T do N Varella
Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated Positronium. The journal of physical chemistry. B 126 (14) (2022)
Denys E S Santos, Kaline Coutinho, Thereza A Soares
Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape. Journal of chemical information and modeling 62 (19) (2022)
Leonardo Bruno Assis Oliveira, Tertius Lima Fonseca, Benedito J Costa Cabral, Kaline Coutinho, Sylvio Canuto
Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water. The Journal of chemical physics 155 (17) (2021)
Dmitrii M Nikolaev, Madushanka Manathunga, Yoelvis Orozco-Gonzalez, Andrey A Shtyrov, Yansel Omar Guerrero Martínez, Samer Gozem, Mikhail N Ryazantsev, Kaline Coutinho, Sylvio Canuto, Massimo Olivucci
Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems. Journal of chemical theory and computation 17 (9) (2021)
Leandro Rezende Franco, André Luiz Sehnem, Antônio Martins Figueiredo Neto, Kaline Coutinho
Molecular Dynamics Approach to Calculate the Thermodiffusion (Soret and Seebeck) Coefficients of Salts in Aqueous Solutions. Journal of chemical theory and computation 17 (6) (2021)
Henrique Musseli Cezar, Sylvio Canuto, Kaline Coutinho
DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method. Journal of chemical information and modeling 60 (7) (2020)
Lucas M Cornetta, Kaline Coutinho, Marcio T do N Varella
Solvent effects on the π* shape resonances of uracil. The Journal of chemical physics 152 (8) (2020)
Peter Park, Leandro R Franco, Hernan Chaimovich, Kaline Coutinho, Iolanda M Cuccovia, Filipe da Silva Lima
Binding and Flip as Initial Steps for BP-100 Antimicrobial Actions. Scientific reports 9 (1) (2019)
Jose Luis Silva, Isaak Unger, Tiago Araujo Matias, Leandro Rezende Franco, Giane B Damas, Luciano T Costa, Kalil C F Toledo, Tulio C R Rocha, Arnaldo Naves de Brito, Clara-Magdalena Saak, Kaline Coutinho, Koiti Araki, Olle Björneholm, Barbara Brena, Carlos Moyses Araujo
X-ray Photoelectron Fingerprints of High-Valence Ruthenium-Oxo Complexes along the Oxidation Reaction Pathway in an Aqueous Environment. The journal of physical chemistry letters 10 (24) (2019)
Denys E S Santos, Frederico J S Pontes, Roberto Dias Lins Neto, Kaline Coutinho, Thereza A Soares
SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces. Journal of chemical information and modeling 60 (2) (2019)
Evanildo G Lacerda, Fadhil S Kamounah, Kaline Coutinho, Stephan P A Sauer, Poul Erik Hansen, Ole Hammerich
Computational Prediction of 1 H and 13 C NMR Chemical Shifts for Protonated Alkylpyrroles: Electron Correlation and Not Solvation is the Salvation. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (1) (2018)
Antonio R da Cunha, Evandro L Duarte, Hubert Stassen, M Teresa Lamy, Kaline Coutinho
Experimental and theoretical studies of emodin interacting with a lipid bilayer of DMPC. Biophysical reviews 9 (5) (2017)