| TDDFT diagnostic testing and functional assessment for triazene chromophores MJG Peach, CR Le Sueur, K Ruud, M Guillaume, DJ Tozer Physical Chemistry Chemical Physics 11 (22), 4465-4470, 2009 | 171 | 2009 |
| In silico optimization of merocyanine-spiropyran compounds as second-order nonlinear optical molecular switches A Plaquet, M Guillaume, B Champagne, F Castet, L Ducasse, JL Pozzo, ... Physical Chemistry Chemical Physics 10 (41), 6223-6232, 2008 | 170 | 2008 |
| TDDFT investigation of the optical properties of cyanine dyes B Champagne, M Guillaume, F Zutterman Chemical Physics Letters 425 (1-3), 105-109, 2006 | 113 | 2006 |
| Acido-triggered nonlinear optical switches: Benzazolo-oxazolidines F Mançois, L Sanguinet, JL Pozzo, M Guillaume, B Champagne, ... The Journal of Physical Chemistry B 111 (33), 9795-9802, 2007 | 102 | 2007 |
| Investigation on the second-order nonlinear optical responses in the keto− enol equilibrium of anil derivatives A Plaquet, M Guillaume, B Champagne, L Rougier, F Mançois, ... The Journal of Physical Chemistry C 112 (14), 5638-5645, 2008 | 93 | 2008 |
| Investigation of the UV/visible absorption spectra of merocyanine dyes using time-dependent density functional theory M Guillaume, B Champagne, F Zutterman The Journal of Physical Chemistry A 110 (48), 13007-13013, 2006 | 81 | 2006 |
| Tuning color variation in grape anthocyanins at the molecular scale L Rustioni, F Di Meo, M Guillaume, O Failla, P Trouillas Food Chemistry 141 (4), 4349-4357, 2013 | 72 | 2013 |
| Acidoswitchable NLO-phores: Benzimidazolo [2, 3-b] oxazolidines L Sanguinet, JL Pozzo, M Guillaume, B Champagne, F Castet, L Ducasse, ... The Journal of Physical Chemistry B 110 (22), 10672-10682, 2006 | 60 | 2006 |
| Theoretical investigation of the linear and second-order nonlinear susceptibilities of the 3-methyl-4-nitropyridine-1-oxyde (POM) crystal M Guillaume, E Botek, B Champagne, F Castet, L Ducasse The Journal of chemical physics 121 (15), 7390-7400, 2004 | 59 | 2004 |
| Tuning the interfacial electronic structure at organic heterojunctions by chemical design S Mothy, M Guillaume, J Idé, F Castet, L Ducasse, J Cornil, D Beljonne The Journal of Physical Chemistry Letters 3 (17), 2374-2378, 2012 | 54 | 2012 |
| Ab initio investigation on the second-order nonlinear optical responses in keto− enol equilibria of salicylideneanilines M Guillaume, B Champagne, N Markova, V Enchev, F Castet The Journal of Physical Chemistry A 111 (39), 9914-9923, 2007 | 53 | 2007 |
| Linear, cyclic, and Möbius strip polyacenes: The influence of the topology on the size‐dependent HOMO–LUMO energy gap JM André, B Champagne, EA Perpète, M Guillaume International Journal of Quantum Chemistry 84 (6), 607-616, 2001 | 53 | 2001 |
| Time-dependent density functional theory investigation of the absorption and emission spectra of a cyanine dye M Guillaume, V Liégeois, B Champagne, F Zutterman Chemical Physics Letters 446 (1-3), 165-169, 2007 | 50 | 2007 |
| Computational Study of the One- and Two-Photon Absorption and Circular Dichroism of (l)-Tryptophan M Guillaume, K Ruud, A Rizzo, S Monti, Z Lin, X Xu The Journal of Physical Chemistry B 114 (19), 6500-6512, 2010 | 48 | 2010 |
| Modeling the electric field third-order nonlinear responses of an infinite aggregate of hexatriene chains using the electrostatic interaction model M Guillaume, B Champagne Physical Chemistry Chemical Physics 7 (18), 3284-3289, 2005 | 38 | 2005 |
| Electrostatic interaction schemes for evaluating the polarizability of silicon clusters M Guillaume, B Champagne, D Bégué, C Pouchan The Journal of chemical physics 130 (13), 2009 | 37 | 2009 |
| Experimental and theoretical study of the effect of the inductive-to-capacitive transition in propanethiol plasma polymer chemistry D Thiry, N Britun, S Konstantinidis, JP Dauchot, M Guillaume, J Cornil, ... The Journal of Physical Chemistry C 117 (19), 9843-9851, 2013 | 35 | 2013 |
| A detailed description of the chemistry of thiol supporting plasma polymer films D Thiry, R Francq, D Cossement, M Guillaume, J Cornil, R Snyders Plasma Processes and Polymers 11 (6), 606-615, 2014 | 34 | 2014 |
| Electronic excitations and first hyperpolarizability of 2‐methyl‐4‐nitroaniline clusters M Guillaume, E Botek, B Champagne, F Castet, L Ducasse International journal of quantum chemistry 90 (4‐5), 1378-1387, 2002 | 29 | 2002 |
| In vacuo XPS investigation of surface engineering for lithium metal anodes with plasma treatment B Zhao, J Li, M Guillaume, J Dendooven, C Detavernier Journal of Energy Chemistry 66, 295-305, 2022 | 24 | 2022 |
