Jacquemin D - Search Results

1

A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks.

Loos PF, Scemama A, Blondel A, Garniron Y, Caffarel M, Jacquemin D. Loos PF, et al. Among authors: jacquemin d. J Chem Theory Comput. 2018 Aug 14;14(8):4360-4379. doi: 10.1021/acs.jctc.8b00406. Epub 2018 Jul 20. J Chem Theory Comput. 2018. PMID: 29966098

2

0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds.

Jacquemin D, Duchemin I, Blase X. Jacquemin D, et al. J Chem Theory Comput. 2015 Nov 10;11(11):5340-59. doi: 10.1021/acs.jctc.5b00619. Epub 2015 Oct 9. J Chem Theory Comput. 2015. PMID: 26574326 Free PMC article.

3

Excited-State Vibrations of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum Model.

Mennucci B, Scalmani G, Jacquemin D. Mennucci B, et al. Among authors: jacquemin d. J Chem Theory Comput. 2015 Mar 10;11(3):847-50. doi: 10.1021/acs.jctc.5b00108. J Chem Theory Comput. 2015. PMID: 26579738

4

Optical Signatures of OBO Fluorophores: A Theoretical Analysis.

Chibani S, Charaf-Eddin A, Mennucci B, Le Guennic B, Jacquemin D. Chibani S, et al. Among authors: jacquemin d. J Chem Theory Comput. 2014 Feb 11;10(2):805-15. doi: 10.1021/ct4009848. J Chem Theory Comput. 2014. PMID: 26580054

5

Fast and Accurate Electronic Excitations in Cyanines with the Many-Body Bethe-Salpeter Approach.

Boulanger P, Jacquemin D, Duchemin I, Blase X. Boulanger P, et al. Among authors: jacquemin d. J Chem Theory Comput. 2014 Mar 11;10(3):1212-8. doi: 10.1021/ct401101u. Epub 2014 Feb 21. J Chem Theory Comput. 2014. PMID: 26580191

6

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. 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

7

Excited-State Geometries of Solvated Molecules: Going Beyond the Linear-Response Polarizable Continuum Model.

Chibani S, Laurent AD, Blondel A, Mennucci B, Jacquemin D. Chibani S, et al. Among authors: jacquemin d. J Chem Theory Comput. 2014 May 13;10(5):1848-51. doi: 10.1021/ct5001507. J Chem Theory Comput. 2014. PMID: 26580516

8

Excited-State Geometries of Heteroaromatic Compounds: A Comparative TD-DFT and SAC-CI Study.

Bousquet D, Fukuda R, Maitarad P, Jacquemin D, Ciofini I, Adamo C, Ehara M. Bousquet D, et al. Among authors: jacquemin d. J Chem Theory Comput. 2013 May 14;9(5):2368-79. doi: 10.1021/ct400097b. Epub 2013 Apr 11. J Chem Theory Comput. 2013. PMID: 26583727

9

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: jacquemin d. 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

10

Boranil and Related NBO Dyes: Insights From Theory.

Chibani S, Charaf-Eddin A, Le Guennic B, Jacquemin D. Chibani S, et al. Among authors: jacquemin d. J Chem Theory Comput. 2013 Jul 9;9(7):3127-35. doi: 10.1021/ct400392r. Epub 2013 Jun 27. J Chem Theory Comput. 2013. PMID: 26583992

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