Planchat A - Search Results

1

Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT.

Charaf-Eddin A, Planchat A, Mennucci B, Adamo C, Jacquemin D. Charaf-Eddin A, et al. Among authors: planchat a. J Chem Theory Comput. 2013 Jun 11;9(6):2749-60. doi: 10.1021/ct4000795. Epub 2013 May 16. J Chem Theory Comput. 2013. PMID: 26583866

2

Performance of an Optimally Tuned Range-Separated Hybrid Functional for 0-0 Electronic Excitation Energies.

Jacquemin D, Moore B 2nd, Planchat A, Adamo C, Autschbach J. Jacquemin D, et al. Among authors: planchat a. J Chem Theory Comput. 2014 Apr 8;10(4):1677-85. doi: 10.1021/ct5000617. Epub 2014 Mar 11. J Chem Theory Comput. 2014. PMID: 26580376

3

Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals.

Moore B 2nd, Charaf-Eddin A, Planchat A, Adamo C, Autschbach J, Jacquemin D. Moore B 2nd, et al. Among authors: planchat a. J Chem Theory Comput. 2014 Oct 14;10(10):4599-608. doi: 10.1021/ct500712w. Epub 2014 Sep 23. J Chem Theory Comput. 2014. PMID: 26588153

4

TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes.

Jacquemin D, Planchat A, Adamo C, Mennucci B. Jacquemin D, et al. Among authors: planchat a. J Chem Theory Comput. 2012 Jul 10;8(7):2359-72. doi: 10.1021/ct300326f. Epub 2012 Jun 22. J Chem Theory Comput. 2012. PMID: 26588969

5

TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes.

Jacquemin D, Brémond E, Planchat A, Ciofini I, Adamo C. Jacquemin D, et al. Among authors: planchat a. J Chem Theory Comput. 2011 Jun 14;7(6):1882-92. doi: 10.1021/ct200259k. Epub 2011 May 23. J Chem Theory Comput. 2011. PMID: 26596449

6

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.

Cerón-Carrasco JP, Jacquemin D, Laurence C, Planchat A, Reichardt C, Sraïdi K. Cerón-Carrasco JP, et al. Among authors: planchat a. J Phys Chem B. 2014 May 1;118(17):4605-14. doi: 10.1021/jp501534n. Epub 2014 Apr 17. J Phys Chem B. 2014. PMID: 24702635

7

Synthesis, photovoltaic performances and TD-DFT modeling of push-pull diacetylide platinum complexes in TiO2 based dye-sensitized solar cells.

Gauthier S, Caro B, Robin-Le Guen F, Bhuvanesh N, Gladysz JA, Wojcik L, Le Poul N, Planchat A, Pellegrin Y, Blart E, Jacquemin D, Odobel F. Gauthier S, et al. Among authors: planchat a. Dalton Trans. 2014 Aug 7;43(29):11233-42. doi: 10.1039/c4dt00301b. Epub 2014 May 19. Dalton Trans. 2014. PMID: 24837848

8

New insights on the molecular features and electrophysiological properties of dinotefuran, imidacloprid and acetamiprid neonicotinoid insecticides.

Le Questel JY, Graton J, Cerón-Carrasco JP, Jacquemin D, Planchat A, Thany SH. Le Questel JY, et al. Among authors: planchat a. Bioorg Med Chem. 2011 Dec 15;19(24):7623-34. doi: 10.1016/j.bmc.2011.10.019. Epub 2011 Oct 20. Bioorg Med Chem. 2011. PMID: 22056840

9

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.

Laurence C, Legros J, Chantzis A, Planchat A, Jacquemin D. Laurence C, et al. Among authors: planchat a. J Phys Chem B. 2015 Feb 19;119(7):3174-84. doi: 10.1021/jp512372c. Epub 2015 Jan 28. J Phys Chem B. 2015. PMID: 25629649

10

Palladium-catalyzed direct arylation of luminescent bis-cyclometalated iridium(III) complexes incorporating C^N- or O^O-coordinating thiophene-based ligands: an efficient method for color tuning.

Beydoun K, Zaarour M, Williams JA, Roisnel T, Dorcet V, Planchat A, Boucekkine A, Jacquemin D, Doucet H, Guerchais V. Beydoun K, et al. Among authors: planchat a. Inorg Chem. 2013 Nov 4;52(21):12416-28. doi: 10.1021/ic401208p. Epub 2013 Oct 14. Inorg Chem. 2013. PMID: 24187927

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