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K

Kaline Coutinho

universidade de sao paulo

38H指数
203论文数
4.3K被引数
收录论文 51
发表时间
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Theoretical insights into the π→π∗ transition and the large Stokes shift of a curcumin-based chromophore基于姜黄素的发色团中π→π∗跃迁和大斯托克斯位移的理论见解
errTheoretical Chemistry Accounts
IF1.5
err2026-02-04
err0
errOAAI
errDe Araujo, Catharina B.; Oliveira, Lennon Rodrigues; Valverde, Danillo; Gester, Rodrigo; Coutinho, Kaline; Canuto, Sylvio; Manzoni, Vinicius
err分享
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Positronium Atoms Solvated in Liquid Alcohols: A Multicomponent Quantum Mechanics/Molecular Mechanics Approach正电子素原子溶解在液态醇中：一种多组分量子力学/分子力学方法
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-11-01
err0
PREAI
errMartins, Leonardo; Bergami, Mateus; Charry, Jorge; Reyes, Andres; Coutinho, Kaline; Varella, Marcio T. Do N.
err分享
err收藏
Defining the pH* Scale in Methanol: Determination of Accurate Values for the Solvation Free Energies of CH3OH2+ and CH3O– in Methanol在甲醇中定义pH*标度：测定CH3OH2+和CH3O–在甲醇中的溶致自由能的准确值
errThe Journal of Physical Chemistry A
IF2.8
err2025-10-25
err0
errOAAI
errAntonio R. Cunha; José M. Riveros; Sylvio Canuto; Kaline Coutinho
err分享
err收藏
Antioxidant and chelating properties of phenolic compounds of agro-industrial waste of Carapa guianensis: theoretical insights for food and pharmaceutical applications卡帕拉·圭亚那ensis农业废弃物中酚类化合物的抗氧化和螯合特性：食品和制药应用的理论见解
errJOURNAL OF MOLECULAR MODELING
IF2.5
err2025-10-16
err0
PREAI
errdos Santos, Neidy S. S.; Surfin, Loubenky; Silva, William; Rodrigues da Cunha, Antonio; Georg, Herbert; Coutinho, Kaline; Canuto, Sylvio; Gester, Rodrigo
err分享
err收藏
Using proton abstraction as a nonlinear optical amplifier in xanthone-based molecules: A DFT perspective以质子抽提作为基于香豆素分子的非线性光学放大器：一种DFT视角
errCHEMICAL PHYSICS LETTERS
IF3.1
err2025-02-01
err0
PREAI
errdos Santos, Neidy S. S.; Torres, Alberto; Georg, Herbert C.; Provasi, Patricio F.; Coutinho, Kaline; Canuto, Sylvio; Gester, Rodrigo
err分享
err收藏
Elucidating the Photophysics and Nonlinear Optical Properties of a Novel Azo Prototype for Possible Photonic Applications: A Quantum Chemical Analysis
errACS OMEGA
IF4.3
err2024-09-20
err0
errOAAI
errFonseca, Savio; dos Santos, Neidy S. S.; Georg, Herbert C.; Fonseca, Tertius L.; Provasi, Patricio F.; Coutinho, Kaline; Canuto, Sylvio; da Cunha, Antonio R.; Gester, Rodrigo
err分享
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Theoretical and experimental study of a new antioxidant xanthone: Solvent and intramolecular hydrogen bond effects
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2024-08-01
err2
PREAI
errdos Santos, N. S. S.; Barbieri, H. B.; Pinheiro, M.; Fill, T. P.; Queiroz, M. H.; Pina, J.; Belo, E.; Georg, H. C.; da Cunha, A. R.; Marinho, P. S. B.; Marinho, A. M. R.; Coutinho, K.; Canuto, S.; Gester, R.
err分享
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Toward a numerically efficient description of bulk-solvated anionic states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-15
err0
PREAI
errKiataki, Matheus B.; Coutinho, Kaline; Varella, Marcio T. do N.
err分享
err收藏
New insights into the interaction of emodin with lipid membranes大黄素与脂质膜相互作用的新见解
errBIOPHYSICAL CHEMISTRY
IF2.2
err2024-06-01
err0
PREAI
errda Cunha, Antonio R.; Duarte, Evandro L.; Muniz, Gabriel S. Vignoli; Coutinho, Kaline; Lamy, M. Teresa
err分享
err收藏
Novel Approach for Predicting Vertical Electron Attachment Energies in Bulk-Solvated Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-24
err1
errOAAI
errKiataki, Matheus B.; Varella, Marcio T. do N.; Coutinho, Kaline; Rabilloud, Franck
err分享
err收藏
New approach to instantaneous polarizable electrostatic embedding of the solvent
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2023-11-01
err4
PREAI
errKiataki, M. B.; Varella, M. T. do N.; Coutinho, K.
err分享
err收藏
Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-18
err2
errOAAI
errFranco, Leandro R. R.; Fonseca, Tertius L. L.; Coutinho, Kaline; Georg, Herbert C. C.
err分享
err收藏
Spectroscopic characterization of different protonation/deprotonation states of Barbaloin in aqueous solution
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2023-02-01
err3
PREAI
errMatos, Fernanda Lima; Duarte, Evandro L.; Muniz, Gabriel S. V.; Milan-Garces, Erix Alexander; Coutinho, Kaline; Lamy, M. Teresa; da Cunha, Antonio R.
err分享
err收藏
The Effect of Surface Composition on the Selective Capture of Atmospheric CO2 by ZIF Nanoparticles: The Case of ZIF-8
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-09-23
err12
errOAAI
errVendite, Alexsander C.; Soares, Thereza A. .; Coutinho, Kaline
err分享
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Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-08-10
err9
errOAAI
errSantos, Denys E. S.; Coutinho, Kaline; Soares, Thereza A.
err分享
err收藏
Spectrophotometric studies of charge-transfer complexes formed with ions N,N'-alkyldiyl-bis(pyridinium) derivatives and iodide
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2022-03-01
err4
PREAI
errde Carvalho, Fernando Rodrigues; da Silva, Fernando; de Lima, Ricardo; Bellotto, Andrezza Correia; de Souza, Vagner Roberto; Caetano, Wilker; Politi, Mario Jose; Hioka, Noboru; Coutinho, Kaline
err分享
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Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-11-03
err4
PREAI
errAssis Oliveira, Leonardo Bruno; Fonseca, Tertius L.; Cabral, Benedito J. C.; Coutinho, Kaline; Canuto, Sylvio
err分享
err收藏
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
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-08-11
err7
PREAI
errNikolaev, Dmitrii M.; Manathunga, Madushanka; Orozco-Gonzalez, Yoelvis; Shtyrov, Andrey A.; Guerrero Martinez, Yansel Omar; Gozem, Samer; Ryazantsev, Mikhail N.; Coutinho, Kaline; Canuto, Sylvio; Olivucci, Massimo
err分享
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Molecular Dynamics Approach to Calculate the Thermodiffusion (Soret and Seebeck) Coefficients of Salts in Aqueous Solutions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-05-04
err13
PREAI
errFranco, Leandro Rezende; Sehnem, Andre Luiz; Neto, Antonio Martins Figueiredo; Coutinho, Kaline
err分享
err收藏
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2021-04-01
err14
PREAI
errCardenuto, Marcelo Hidalgo; Cezar, Henrique M.; Mikkelsen, Kurt, V; Sauer, Stephan P. A.; Coutinho, Kaline; Canuto, Sylvio
err分享
err收藏

研究方向

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合作学者
合作期刊
H
Hans Ågren
H 指数: 102 · 论文数: 1.6K
M
Massimo Olivucci
H 指数: 75 · 论文数: 419
H
Hans Lischka
H 指数: 74 · 论文数: 444
K
Kurt V. Mikkelsen
H 指数: 62 · 论文数: 540
C
Claude Millot
H 指数: 57 · 论文数: 232
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