Recherche

hal-01389039v1 Article dans une revue
Pierre-François Loos, Julien Preat, Adèle D. Laurent, Catherine Michaux, Denis Jacquemin et al. Theoretical investigation of the geometries and UV-vis spectra of poly(L-glutamic acid) featuring a photochromic azobenzene side chain
Journal of Chemical Theory and Computation, American Chemical Society, 2008, 4 (4), pp.637-645. <10.1021/ct700188w>

hal-01116191v1 Article dans une revue
Élise Dumont, Adele D. Laurent, Pierre-François Loos, Xavier Assfeld. Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein
Journal of Chemical Theory and Computation, American Chemical Society, 2009, 5 (6), pp.1700-1708. <http://pubs.acs.org/doi/abs/10.1021/ct900093h>. <10.1021/ct900093h>

hal-01116239v1 Article dans une revue
Elise Dumont, Pierre-François Loos, Adele D. Laurent, Xavier Assfeld. Huge Disulfide-Linkage’S Electron Capture Variation Induced by α-Helix Orientation
Journal of Chemical Theory and Computation, American Chemical Society, 2008, 4 (8), pp.1171-1173. <http://pubs.acs.org/doi/abs/10.1021/ct800161m>. <10.1021/ct800161m>

hal-01116187v1 Article dans une revue
Pierre-François Loos, Elise Dumont, Adele D. Laurent, Xavier Assfeld. Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks
Chemical Physics Letters, Elsevier, 2009, 475 (1-3), pp.120-123. <http://www.sciencedirect.com/science/article/pii/S0009261409006071>. <10.1016/j.cplett.2009.05.041>

hal-01116173v1 Article dans une revue
Élise Dumont, Adele D. Laurent, Xavier Assfeld, Denis Jacquemin. Performances of recently-proposed functionals for describing disulfide radical anions and similar systems
Chemical Physics Letters, Elsevier, 2011, 501 (4-6), pp.245-251. <http://www.sciencedirect.com/science/article/pii/S0009261410015435>. <10.1016/j.cplett.2010.11.062>

hal-01389035v1 Article dans une revue
Adèle D. Laurent, Xavier Assfeld. Effect of the Enhanced Cyan Fluorescent Protein Framework on the UV/Visible Absorption Spectra of Some Chromophores
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2010, 2 (1, SI), pp.38-47. <10.1007/s12539-010-0084-z>

hal-01116181v1 Article dans une revue
Elise Dumont, Pierre-Francois Loos, Adele D. Laurent, Xavier Assfeld. Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds
International Journal of Quantum Chemistry Symposium, 2010, 110 (3), pp.513-523. <http://onlinelibrary.wiley.com/doi/10.1002/qua.22072/abstract;jsessionid=04DA6D9319381E868AA170B3D8FF0213.f03t01>. <10.1002/qua.22072>

hal-01495200v1 Article dans une revue
Walid Sharmoukh, Antonio Attanzio, Eva Busatto, Thibaud Etienne, Stefano Carli et al. 2,5-Dithienylpyrrole (DTP) as a donor component in DTP-pi-A organic sensitizers: photophysical and photovoltaic properties
RSC Advances, Royal Society of Chemistry, 2015, 5 (6), pp.4041-4050. <10.1039/c4ra10342d>

hal-00125326v1 Article dans une revue
Carole Gardiennet Doucet, Xavier Assfeld, Bernard Henry, Piotr Tekely. Revealing Successive Steps of Deprotonation of L- Phosphoserine through 13C and 31P Chemical Shielding Tensor Fingerprints
Journal of Physical Chemistry A, American Chemical Society, 2006, 110, pp.9137-9144. <10.1021/jp062184v>

hal-01527487v1 Article dans une revue
Pierre-François Loos, Jean-Louis Rivail, Xavier Assfeld. Iterative stochastic subspace self-consistent field method
Journal of Molecular Modeling, Springer Verlag (Germany), 2017, 23, pp.173. <10.1007/s00894-017-3347-3>

hal-01389037v1 Article dans une revue
Denis Jacquemin, Eric A. Perpete, Adèle D. Laurent, Xavier Assfeld, Carlo Adamo. Spectral properties of self-assembled squaraine-tetralactam: a theoretical assessment
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2009, 11 (8), pp.1258-1262. <10.1039/b817720a>

hal-01114786v1 Article dans une revue
Elise Dumont, Meilani Wibowo, Daniel Roca-Sanjuán, Marco Garavelli, Xavier Assfeld et al. Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level
Journal of Physical Chemistry Letters, American Chemical Society, 2015, 6, pp.576-580. <http://pubs.acs.org/doi/abs/10.1021/jz502562d?journalCode=jpclcd>. <10.1021/jz502562d>

hal-01153355v1 Article dans une revue
Julian Garrec, Antonio Monari, Xavier Assfeld, Lluis M. Mir, Mounir Tarek. Lipid Peroxidation in Membranes: The Peroxyl Radical Does Not “Float”
Journal of Physical Chemistry Letters, American Chemical Society, 2014, 5 (10), pp.1653-1658. <10.1021/jz500502q>

hal-01116178v1 Article dans une revue
Elise Dumont, Adele D. Laurent, Xavier Assfeld. Intersulfur Distance Is a Key Factor in Tuning Disulfide Radical Anion Vertical UV−Visible Absorption
Journal of Physical Chemistry Letters, American Chemical Society, 2010, 1 (2), pp.581-586. <http://pubs.acs.org/doi/abs/10.1021/jz900214e>. <10.1021/jz900214e>

hal-01494554v1 Article dans une revue
Sajida Noureen, Roberto Argazzi, Antonio Monari, Marc Beley, Xavier Assfeld et al. Novel Ru-based sunlight harvesters bearing dithienylpyrrolo (DTP)-bipyridine ligands: Synthesis, characterization and photovoltaic properties
Dyes and Pigments, Elsevier, 2014, 101, pp.318-328. <10.1016/j.dyepig.2013.10.013>

hal-01494414v1 Article dans une revue
Thibaut Duchanois, Thibaud Etienne, Marc Beley, Xavier Assfeld, Eric A. Perpete et al. Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties
European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2014, pp.3747-3753. <10.1002/ejic.201402356>

hal-01495210v1 Article dans une revue
Thibaut Duchanois, Thibaud Etienne, Cristina Cebrian, Li Liu, Antonio Monari et al. An Iron-Based Photosensitizer with Extended Excited-State Lifetime: Photophysical and Photovoltaic Properties
European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2015, pp.2469-2477. <10.1002/ejic.201500142>

hal-01389034v1 Article dans une revue
Guillem Revilla-Lopez, Adèle D. Laurent, Eric A. Perpete, Denis Jacquemin, Juan Torras et al. Key Building Block of Photoresponsive Biomimetic Systems
Journal of Physical Chemistry B, American Chemical Society, 2011, 115 (5), pp.1232-1242. <10.1021/jp108341a>

hal-01242500v1 Article dans une revue
Hugo Gattuso, Thibaut Duchanois, Vanessa Besancenot, Claire Barbieux, Xavier Assfeld et al. Interaction of iron II complexes with B-DNA. Insights from molecular modeling, spectroscopy and cellular biology
Frontiers in Chemistry, Frontiers, 2015, 3 (67), <10.3389/fchem.2015.00067>

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