Philippe Marsal


Théorie et Simulation Numérique



+33(0)6 20 45 92 67


+33(0)4 91 41 89 16




enseignant - chercheur



chimie théorique


Fused Azacalix[4]arenes

R. Haddoub, M. Touil, Z. Chen, J-M. Raimundo, P. Marsal, M. Elhabiri, O. Siri

European Journal of Organic Chemistry 2014 4 745-752 (2014)

Structure and properties of nanoscale materials: theory and atomistic computer simulation

C. Bichara, P. Marsal, C. Mottet, R. Pellenq, F. Ribeiro, A. Saul, G. Tréglia, H.C. Weissker

International Journal of Nanotechnology 9 3-7 576-604 (2012)

Cobalt thiocyanate reagent revisited for cocaine identification on TLC

R. Haddoub, D. Ferry, P. Marsal, O. Siri

New Journal of Chemistry 35 7 1351-1354 (2011)

Cationic Nucleoside Lipids Derived from Universal Bases: A Rational Approach for siRNA Transfection

C. Ceballos, S. Khiati, C.A.H. Prata, X-X. Zhang, S. Giorgio, P. Marsal, M.W. Grinstaff, P. Barthélémy, M. Camplo

Bioconjugate Chemistry 21 1062-1069 (2010)

Core-cyanated distyryl-bithiophene Synthesis and impact on charge transport in field-effect transistors

Y. Didane, P. Marsal, F. Fages, A. Kumagai, N. Yoshimoto, H. Brisset, C. Videlot-ackermann

Thin Solid Films 519 2 578-586 (2010)

New class of highly stable nonaromatic tautomers

C. Seillan, P. Marsal, O. Siri

Organic & Biomolecular Chemistry / Organic and Biomolecular Chemistry 8 17 3882-3887 (2010)

Mechanistic Study of the Collision-Induced Dissociation of Sodium-Cationized Polylactide Oligomers: A Joint Experimental and Theoretical Investigation

J. De Winter, V. Lemaur, P. Marsal, O. Coulembier, J. Cornil, P. Dubois, P. Gerbaux

Journal of The American Society for Mass Spectrometry 21 7 1159-1168 (2010)

Unprecedented N(H)-bridged tetraaza[]m,p,m,p-cyclophanes

M. Touil, J.M. Raimundo, M. Lachkar, P. Marsal, O. Siri

Tetrahedron 66 24 4377-4382 (2010)

Acetylenic spacers in phenylene end-substituted oligothiophene core for highly air-stable organic field-effect transistors

A.K. Diallo, C. Videlot-ackermann, P. Marsal, H. Brisset, F. Fages, A. Kumagai, N. Yoshimoto, F. Serein-spirau, J.P. Lere-porte

Physical Chemistry Chemical Physics 12 15 3845-3851 (2010)

Deposition of Functional Organic Thin Films by Pulsed Plasma Polymerization: A Joint Theoretical and Experimental Characterization

L. Denis, P. Marsal, Y. Olivier, T. Godfroid, R. Lazzaroni, M. Hecq, J. Cornil, R. Snyders

Plasma Processes and Polymers 7 172-181 (2010)

Investigation of probe molecule-polymer interactions

E. Braeken, P. Marsal, A. Vandendriessche, M. Smet, W. Dehaen, R.A.L. Vallée, D. Beljonne, M. Van Der Auweraer

Chemical Physics Letters 472 1-3 48-54 (2009)

Single Molecule Probing of the Local Segmental Relaxation Dynamics in Polymer above the Glass Transition Temperature

E. Braeken, G. De Cremer, P. Marsal, G. Pèpe, K. Müllen, R.A.L. Vallée

Journal of the American Chemical Society 131 34 12201-12210 (2009)

Tuning the energy levels of photochromic diarylethene compounds for opto-electronic switch devices

F.L.E. Kakobsson, P. Marsal, S. Braun, M. Fahlman, M. Berggren, J. Cornil, X. Crispin

Journal of Physical Chemistry C 113 42 18396-18405 (2009)

Influence of Phenyl Perfluorination on Charge Transport Properties of Distyryl-Oligothiophenes in Organic Field-Effect Transistors

C. Videlot-ackermann, H. Brisset, J. Zhang, J. Ackermann, S. Nenon, F. Fages, P. Marsal, T. Tanisawa, N. Yoshimoto

Journal of Physical Chemistry C 113 4 1567-1574 (2009)

Mechanism of the antioxidant action of silybin and 2,3-dehydrosilybin flavonolignans: A joint experimental and theoretical study

P. Trouillas, P. Marsal, A. Svobodova, J. Vostalova, R. Gazak, J. Hrbac, P. Sedmera, V. Kren, R. Lazzaroni, J.L. Duroux, D. Walterova

Journal of Physical Chemistry A 112 5 1054-1063 (2008)

Photophysical study of bay substituted perylenediimides

E. Fron, G. Schweitzer, P. Osswald, F. Wurthner, P. Marsal, D. Beljonne, K. Mullen, F.C. De Schryver, M. Van Der Auweraer

Photochemical and Photobiological Sciences 7 12 1509-1521 (2008)

Density functional theory study of the conformational, electronic, and antioxidant properties of natural chalcones

D. Kozlowski, P. Trouillas, C. Calliste, P. Marsal, R. Lazzaroni, J.L. Duroux

Journal of Physical Chemistry A 111 6 1138-1145 (2007)

Theoretical investigation of the formation of a new series of antioxidant depsides from the radiolysis of flavonoid compounds

D. Kozlowski, P. Marsal, M. Steel, R. Mokrini, J.L. Duroux, R. Lazzaroni, P. Trouillas

Radiation Research 168 2 243-252 (2007)

Influence of intermolecular orientation on the photoinduced charge transfer kinetics in self-assembled aggregates of donor-acceptor arrays

E.H.A. Beckers, S.C.J. Meskers, APHJ SCHENNING. , Z.J. Chen, F. Wurthner, P. Marsal, D. Beljonne, J. Cornil, RAJ. Janssen

Journal of the American Chemical Society 128 2 649-657 (2006)

A DFT study of the reactivity of OH groups in quercetin and taxifolin antioxidants: The specificity of the 3-OH site

P. Trouillas, P. Marsal, D. Siri D, R. Lazzaroni, J.L. Duroux

Food Chemistry 97 4 679-688 (2006)