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Journal of Chemical Theory and Computation
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November 22, 2015
TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes
Denis Jacquemin, Aurélien Planchat, Carlo Adamo, et al.
The Journal of Organic Chemistry
|
February 15, 2021
Hydrogen-Bond Acceptance of Solvents: A <sup>19</sup>F Solvatomagnetic β<sub>1</sub> Database to Replace Solvatochromic and Solvatovibrational Scales
Christian Laurence, Sergui Mansour, Daniela Vuluga, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0-0 Electronic Excitation Energies
Denis Jacquemin, Barry Moore, Aurélien Planchat, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes
Denis Jacquemin, Eric Brémond, Aurélien Planchat, et al.
The Journal of Physical Chemistry. B
|
January 29, 2015
A database of dispersion-induction DI, electrostatic ES, and hydrogen bonding α1 and β1 solvent parameters and some applications to the multiparameter correlation analysis of solvent effects
Christian Laurence, Julien Legros, Agisilaos Chantzis, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT
Azzam Charaf-Eddin, Aurélien Planchat, Benedetta Mennucci, et al.
The Journal of Organic Chemistry
|
December 1, 2021
Atom Economical Photocatalytic Oxidation of Phenols and Site-Selective Epoxidation Toward Epoxyquinols
Louis Péault, Aurélien Planchat, Pierrick Nun, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals
Barry Moore, Azzam Charaf-Eddin, Aurélien Planchat, et al.
Chemsuschem
|
June 12, 2022
Push-Pull Phenoxazine-Based Sensitizers for p-Type DSSCs: Effect of Acceptor Units on Photovoltaic Performance
Kavya S Keremane, Aurélien Planchat, Yann Pellegrin, et al.
The Journal of Physical Chemistry. B
|
April 8, 2014
Determination of a solvent hydrogen-bond acidity scale by means of the solvatochromism of pyridinium-N-phenolate betaine dye 30 and PCM-TD-DFT calculations
José P Cerón-Carrasco, Denis Jacquemin, Christian Laurence, et al.
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Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
November 22, 2015
TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes
Denis Jacquemin, Aurélien Planchat, Carlo Adamo, et al.
The Journal of Organic Chemistry
|
February 15, 2021
Hydrogen-Bond Acceptance of Solvents: A <sup>19</sup>F Solvatomagnetic β<sub>1</sub> Database to Replace Solvatochromic and Solvatovibrational Scales
Christian Laurence, Sergui Mansour, Daniela Vuluga, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0-0 Electronic Excitation Energies
Denis Jacquemin, Barry Moore, Aurélien Planchat, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes
Denis Jacquemin, Eric Brémond, Aurélien Planchat, et al.
The Journal of Physical Chemistry. B
|
January 29, 2015
A database of dispersion-induction DI, electrostatic ES, and hydrogen bonding α1 and β1 solvent parameters and some applications to the multiparameter correlation analysis of solvent effects
Christian Laurence, Julien Legros, Agisilaos Chantzis, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT
Azzam Charaf-Eddin, Aurélien Planchat, Benedetta Mennucci, et al.
The Journal of Organic Chemistry
|
December 1, 2021
Atom Economical Photocatalytic Oxidation of Phenols and Site-Selective Epoxidation Toward Epoxyquinols
Louis Péault, Aurélien Planchat, Pierrick Nun, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals
Barry Moore, Azzam Charaf-Eddin, Aurélien Planchat, et al.
Chemsuschem
|
June 12, 2022
Push-Pull Phenoxazine-Based Sensitizers for p-Type DSSCs: Effect of Acceptor Units on Photovoltaic Performance
Kavya S Keremane, Aurélien Planchat, Yann Pellegrin, et al.
The Journal of Physical Chemistry. B
|
April 8, 2014
Determination of a solvent hydrogen-bond acidity scale by means of the solvatochromism of pyridinium-N-phenolate betaine dye 30 and PCM-TD-DFT calculations
José P Cerón-Carrasco, Denis Jacquemin, Christian Laurence, et al.
Page
of 3