Výsledky vyhledávání - "Thomas Guillon"

Theoretical Investigation on the Photophysical Properties of Model Ruthenium Complexes with Diazabutadiene Ligands [Ru(bpy)3−x(dab)x]2+ (x = 1−3)

Autor: Thomas Guillon, Alain Igau, Martial Boggio-Pasqua, Fabienne Alary, Pierre Sutra, Jean-Louis Heully, Emilie Lebon

Publikováno v: Inorganic Chemistry
Inorganic Chemistry, American Chemical Society, 2010, 49 (19), pp.8862-72. ⟨10.1021/ic1009863⟩

International audience; In this study we report a theoretical comparative study of some photophysical properties in the [Ru(bpy)(3-x)(dab)(x)](2+) (x = 0-3) series. Density functional theory calculations, validated by highly correlated ab initio benc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e957e10cf6a1cd2067014efe5e7a304
https://doi.org/10.1021/ic1009863

Zobrazit plný text záznamu

3d Electrons-molecular vibrations coupling in spin conversion compounds molecules: A quantitative study for the [Fe(phen)2(NCS)2] molecules

Autor: S. Topcu, Thomas Guillon, Azzedine Bousseksou, Yasser Alayli, Luc Chassagne, J. Nasser

Publikováno v: Chemical Physics Letters. 446:385-390

Experiments and DFT calculations show that normal mode frequency values of the molecule of the spin conversion (SC) compound [Fe(phen) 2 (NCS) 2 ] vary when the Fe(II) ion passes from its fundamental level, low spin, to its first excited one, high sp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3d6965a134ae3068c58718755f59bd42
https://doi.org/10.1016/j.cplett.2007.07.109

Zobrazit plný text záznamu

Investigation of the Two-Step Spin Crossover Complex Fe[5-NO2-sal-(1,4,7,10)] Using Density Functional Theory

Autor: Azzedine Bousseksou, Samir Zein, Lionel Salmon, Serguei A. Borshch, Gábor Molnár, Thomas Guillon

Publikováno v: The Journal of Physical Chemistry A. 111:8223-8228

A quantum chemical study of the Fe[5-NO2-sal-(1,4,7,10)] ((1,10-bis(5-nitrosalicylaldehyde)-1,4,7,10-tetra-ezdecane-O,O',N,N',N' ',N' '')iron(II)) molecule was performed using density functional theory (DFT). Starting from the different X-ray crystal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5ba72da9edc5ead644beab7041b8403
https://doi.org/10.1021/jp071686l

Zobrazit plný text záznamu

Photoswitching of the Dielectric Constant of the Spin-Crossover Complex [Fe(L)(CN)2]⋅H2O

Autor: Jean-François Létard, Gábor Molnár, Sébastien Bonhommeau, Azzedine Bousseksou, Latévi Max Lawson Daku, José Sánchez Costa, Thomas Guillon, Philippe Demont

Publikováno v: Angewandte Chemie International Edition
Angewandte Chemie International Edition, Wiley-VCH Verlag, 2006, vol. 45, n° 10, p. 1625-1629. ⟨10.1002/anie.200503252⟩
Angewandte Chemie: International Edition in English, Vol. 45, No 10 (2006) pp. 1625-1629

The interest in bistable molecular materials for information processing has been discussed by several authors.Iron(ii) spin-crossover (SCO) compounds are particularly promising in this respect, because the conversion between the highspin (HS) (S=2) a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b41004902c5ef7bb358a0c02ea45487
https://doi.org/10.1002/ange.200503252

Zobrazit plný text záznamu

Isotope effects on the vibrational spectra of the Fe(Phen)2(NCS)2 spin-crossover complex studied by density functional calculations

Autor: Thomas Guillon, Hauke Paulsen, Azzedine Bousseksou, Gábor Molnár, Villő K. Pálfi

Publikováno v: Comptes Rendus Chimie. 8:1317-1325

A geometry optimization and vibrational frequency calculation has been carried out on the Fe(phen)2(NCS)2 (phen = 1,10 phenantroline) molecule in both spin states (S = 0 and S = 2) using the density functional theory (DFT) method with the B3LYP funct

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a3a64fe15ead20447d771ef49aade5a5
https://doi.org/10.1016/j.crci.2004.11.032

Zobrazit plný text záznamu

Simulation of tree branch motion

Autor: Thomas Guillon, Thierry Fourcaud, Yves Dumont

Publikováno v: ResearcherID
Plant growth modeling, simulation, visualization and applications. Proceedings PMA12 : The Fourth International Symposium on Plant Growth Modeling, Simulation, Visualization and Applications, Shanghai, China, 31 October-3 November 2012

This paper presents a spatio-temporal model coupling tree growth and tree biomechanics. This model takes the form of partial differential equations. Different numerical methods have been implemented and compared' in order to integrate the model equat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a3d4dda05bf7178d577392391e47595
https://doi.org/10.1109/pma.2012.6524822

Zobrazit plný text záznamu

Photophysical and electrochemical properties of polypyridine imine ruthenium(II) complexes: a comparative experimental and theoretical study

Autor: Rémi E. Piau, Nicolas Perrot, Alberto Juris, Martial Boggio-Pasqua, Alain Igau, Emilie Lebon, Fabienne Alary, Jean-Louis Heully, Pierre Sutra, Thomas Guillon

Publikováno v: New Journal of Chemistry
New Journal of Chemistry, Royal Society of Chemistry, 2012, 36 (12), pp.2484-2492. ⟨10.1039/C2NJ40353F⟩

International audience; The photophysical and electrochemical properties of two ruthenium complexes formulated as [Ru(bpy)2LL′]2+ (bpy = 2,2′-bipyridine, LL′ = pyrim=phenylpyridin-2-ylmethylene-amine; and LL′ = Mes-dab = 1,4-dimesityl-1,4-dia

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c69106f15a162145dddbf34b49f1d333
https://hal.archives-ouvertes.fr/hal-00834727

Zobrazit plný text záznamu

Numerical methods for the biomechanics of growing trees

Autor: Yves Dumont, Thierry Fourcaud, Thomas Guillon

Publikováno v: Computers and Mathematics with Applications
Computers and Mathematics with Applications, Elsevier, 2012, 64 (3), pp.289-309. ⟨10.1016/j.camwa.2012.02.040⟩
Computers & Mathematics with Applications
Computers & Mathematics with Applications, Elsevier, 2012, 64 (3), pp.289-309. ⟨10.1016/j.camwa.2012.02.040⟩

ACL-12-42; International audience; Modelling the biomechanics of growing trees is a non-classical problem, as the usual framework of structural mechanics does not take into account the evolution of the domain geometry due to growth processes. Increme

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2fd4d3bf3a82c230b6d825498e26654
https://hal.archives-ouvertes.fr/halsde-00732873

Zobrazit plný text záznamu

A new mathematical framework for modelling the biomechanics of growing trees with rod theory

Autor: Thomas Guillon, Thierry Fourcaud, Yves Dumont

Publikováno v: Mathematical and Computer Modelling
Mathematical and Computer Modelling, Elsevier, 2012, 55 (9-10), pp.2061-2077. ⟨10.1016/j.mcm.2011.12.024⟩

ACL-12-24; International audience; The analysis of the shape evolution of growing trees requires an accurate modelling of the interaction between growth and biomechanics, including both static and adaptive responses. However, this coupling is a probl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::845205cc02d23d2a70417be06f142cff
http://agritrop.cirad.fr/563543/

Zobrazit plný text záznamu

On the dielectric properties of the spin crossover complex [Fe(bpp)2] [BF4]2

Autor: Azzedine Bousseksou, Gábor Molnár, Jean-François Létard, Thomas Guillon, Philippe Demont, Sébastien Bonhommeau, José Sánchez Costa, Antoine Zwick

Publikováno v: physica status solidi (a)
physica status solidi (a), Wiley, 2006, vol. 203, n° 11, p. 2974-2980. ⟨10.1002/pssa.200567103⟩

The thermal variation of the dielectric constant in the spin crossover complex [Fe(bpp) 2 ] [BF 4 ] 2 displays a 16 K large hysteresis loop centered around 178 K corresponding to the spin transition temperatures. Unexpectedly, the dielectric constant

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42e76ec4077791954505964b2b13a82c
https://oatao.univ-toulouse.fr/2685/

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání