Heully JL - Search Results

1

Establishing the Two-Photon Linkage Isomerization Mechanism in the Nitrosyl Complex trans-[RuCl(NO)(py)4](2+) by DFT and TDDFT.

Sanz García J, Alary F, Boggio-Pasqua M, Dixon IM, Malfant I, Heully JL. Sanz García J, et al. Among authors: heully jl. Inorg Chem. 2015 Sep 8;54(17):8310-8. doi: 10.1021/acs.inorgchem.5b00998. Epub 2015 Aug 14. Inorg Chem. 2015. PMID: 26274397

2

Using effective group potential methodology for predicting organometallic complex properties.

Alary F, Heully JL, Poteau R, Maron L, Trinquier G, Daudey JP. Alary F, et al. Among authors: heully jl. J Am Chem Soc. 2003 Sep 10;125(36):11051-61. doi: 10.1021/ja034534m. J Am Chem Soc. 2003. PMID: 12952487

3

Calculation of the ground and excited states of a mixed valence compound [Fe2(OH)3(NH3)6]2+: a class II or class III compound?

Carissan Y, Heully JL, Alary F, Daudey JP. Carissan Y, et al. Among authors: heully jl. Inorg Chem. 2004 Feb 23;43(4):1411-20. doi: 10.1021/ic034716h. Inorg Chem. 2004. PMID: 14966977

4

A study of the correlation effects upon the modelization of the double exchange phenomenon.

Carissan Y, Heully JL, Guihéry N, Alary F. Carissan Y, et al. Among authors: heully jl. J Chem Phys. 2004 Nov 15;121(19):9453-60. doi: 10.1063/1.1806415. J Chem Phys. 2004. PMID: 15538866

5

Is the 3MLCT the only photoreactive state of polypyridyl complexes?

Alary F, Heully JL, Bijeire L, Vicendo P. Alary F, et al. Among authors: heully jl. Inorg Chem. 2007 Apr 16;46(8):3154-65. doi: 10.1021/ic062193i. Epub 2007 Mar 21. Inorg Chem. 2007. PMID: 17373787

6

Theoretical characterization of the lowest triplet excited states of the tris-(1,4,5,8-tetraazaphenanthrene) ruthenium dication complex.

Alary F, Boggio-Pasqua M, Heully JL, Marsden CJ, Vicendo P. Alary F, et al. Among authors: heully jl. Inorg Chem. 2008 Jun 16;47(12):5259-66. doi: 10.1021/ic800246t. Epub 2008 May 21. Inorg Chem. 2008. PMID: 18491894

7

Ligand selection in Ru(II) complexes for direct one-electron photooxidation of guanine: a combined computational and experimental study.

Boggio-Pasqua M, Vicendo P, Oubal M, Alary F, Heully JL. Boggio-Pasqua M, et al. Among authors: heully jl. Chemistry. 2009;15(12):2759-62. doi: 10.1002/chem.200802520. Chemistry. 2009. PMID: 19219865

8

Spin-orbit effects on the photophysical properties of Ru(bpy)3(2+).

Heully JL, Alary F, Boggio-Pasqua M. Heully JL, et al. J Chem Phys. 2009 Nov 14;131(18):184308. doi: 10.1063/1.3254196. J Chem Phys. 2009. PMID: 19916605

9

Theoretical investigation on the photophysical properties of model ruthenium complexes with diazabutadiene ligands [Ru(bpy)(3-x)(dab)(x)](2+) (x = 1-3).

Guillon T, Boggio-Pasqua M, Alary F, Heully JL, Lebon E, Sutra P, Igau A. Guillon T, et al. Among authors: heully jl. Inorg Chem. 2010 Oct 4;49(19):8862-72. doi: 10.1021/ic1009863. Inorg Chem. 2010. PMID: 20812691

10

Electronic peculiarities of the excited states of [RuN5C]+ vs. [RuN6]2+ polypyridine complexes: insight from theory.

Dixon IM, Alary F, Heully JL. Dixon IM, et al. Among authors: heully jl. Dalton Trans. 2010 Dec 7;39(45):10959-66. doi: 10.1039/c0dt00563k. Epub 2010 Oct 19. Dalton Trans. 2010. PMID: 20957260

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