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Kaline Coutinho

Showing results (21-30 of 62) with videos related to

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The Journal of Chemical Physics|January 17, 2015
A first principles approach to the electronic properties of liquid and supercritical CO2Benedito J Costa Cabral, Roberto Rivelino, Kaline Coutinho, et al.
The Journal of Physical Chemistry. A|October 25, 2025
Defining the pH* Scale in Methanol: Determination of Accurate Values for the Solvation Free Energies of CH<sub>3</sub>OH<sub>2</sub><sup>+</sup> and CH<sub>3</sub>O<sup>-</sup> in MethanolAntonio R Cunha, José M Riveros, Sylvio Canuto, et al.
The Journal of Chemical Physics|July 15, 2024
Toward a numerically efficient description of bulk-solvated anionic statesMatheus B Kiataki, Kaline Coutinho, Márcio T do N Varella
The Journal of Physical Chemistry. B|June 4, 2015
Probing Lewis Acid-Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO2Benedito J Costa Cabral, Roberto Rivelino, Kaline Coutinho, et al.
Physical Chemistry Chemical Physics : PCCP|February 19, 2009
Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest pi-pi* transitionRafael C Barreto, Kaline Coutinho, Herbert C Georg, et al.
The Journal of Physical Chemistry. B|March 27, 2009
Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics modelPaula Jaramillo, Patricia Pérez, Patricio Fuentealba, et al.
The Journal of Physical Chemistry. B|February 15, 2012
Molecular dynamics investigations of PRODAN in a DLPC bilayerWilliam K Nitschke, Cíntia C Vequi-Suplicy, Kaline Coutinho, et al.
The Journal of Physical Chemistry. A|June 2, 2006
Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics studyMaria Carolina P Lima, Kaline Coutinho, Sylvio Canuto, et al.
The Journal of Chemical Physics|January 15, 2008
Electronic properties of liquid ammonia: a sequential molecular dynamics/quantum mechanics approachTânia S Almeida, Kaline Coutinho, Benedito J Costa Cabral, et al.
The Journal of Chemical Physics|August 18, 2023
Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polaritiesLeandro R Franco, Tertius L Fonseca, Kaline Coutinho, et al.
Pageof 7

Showing results (21-30 of 62) with videos related to

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Pageof 7
The Journal of Chemical Physics|January 17, 2015
A first principles approach to the electronic properties of liquid and supercritical CO2Benedito J Costa Cabral, Roberto Rivelino, Kaline Coutinho, et al.
The Journal of Physical Chemistry. A|October 25, 2025
Defining the pH* Scale in Methanol: Determination of Accurate Values for the Solvation Free Energies of CH<sub>3</sub>OH<sub>2</sub><sup>+</sup> and CH<sub>3</sub>O<sup>-</sup> in MethanolAntonio R Cunha, José M Riveros, Sylvio Canuto, et al.
The Journal of Chemical Physics|July 15, 2024
Toward a numerically efficient description of bulk-solvated anionic statesMatheus B Kiataki, Kaline Coutinho, Márcio T do N Varella
The Journal of Physical Chemistry. B|June 4, 2015
Probing Lewis Acid-Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO2Benedito J Costa Cabral, Roberto Rivelino, Kaline Coutinho, et al.
Physical Chemistry Chemical Physics : PCCP|February 19, 2009
Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest pi-pi* transitionRafael C Barreto, Kaline Coutinho, Herbert C Georg, et al.
The Journal of Physical Chemistry. B|March 27, 2009
Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics modelPaula Jaramillo, Patricia Pérez, Patricio Fuentealba, et al.
The Journal of Physical Chemistry. B|February 15, 2012
Molecular dynamics investigations of PRODAN in a DLPC bilayerWilliam K Nitschke, Cíntia C Vequi-Suplicy, Kaline Coutinho, et al.
The Journal of Physical Chemistry. A|June 2, 2006
Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics studyMaria Carolina P Lima, Kaline Coutinho, Sylvio Canuto, et al.
The Journal of Chemical Physics|January 15, 2008
Electronic properties of liquid ammonia: a sequential molecular dynamics/quantum mechanics approachTânia S Almeida, Kaline Coutinho, Benedito J Costa Cabral, et al.
The Journal of Chemical Physics|August 18, 2023
Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polaritiesLeandro R Franco, Tertius L Fonseca, Kaline Coutinho, et al.
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