| Year |
Citation |
Score |
| 2013 |
Rustioni L, Di Meo F, Guillaume M, Failla O, Trouillas P. Tuning color variation in grape anthocyanins at the molecular scale. Food Chemistry. 141: 4349-57. PMID 23993625 DOI: 10.1016/j.foodchem.2013.07.006 |
0.328 |
|
| 2010 |
Guillaume M, Ruud K, Rizzo A, Monti S, Lin Z, Xu X. Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan. The Journal of Physical Chemistry. B. 114: 6500-12. PMID 20420407 DOI: 10.1021/Jp1004659 |
0.516 |
|
| 2009 |
Peach MJ, Le Sueur CR, Ruud K, Guillaume M, Tozer DJ. TDDFT diagnostic testing and functional assessment for triazene chromophores. Physical Chemistry Chemical Physics : Pccp. 11: 4465-70. PMID 19475164 DOI: 10.1039/B822941D |
0.503 |
|
| 2009 |
Guillaume M, Champagne B, Bégué D, Pouchan C. Electrostatic interaction schemes for evaluating the polarizability of silicon clusters. The Journal of Chemical Physics. 130: 134715. PMID 19355772 DOI: 10.1063/1.3104629 |
0.317 |
|
| 2008 |
Plaquet A, Guillaume M, Champagne B, Castet F, Ducasse L, Pozzo JL, Rodriguez V. In silico optimization of merocyanine-spiropyran compounds as second-order nonlinear optical molecular switches. Physical Chemistry Chemical Physics : Pccp. 10: 6223-32. PMID 18936845 DOI: 10.1039/B806561F |
0.328 |
|
| 2008 |
Plaquet A, Guillaume M, Champagne B, Rougier L, Mançois F, Rodriguez V, Pozzo JL, Ducasse L, Castet F. Investigation on the Second-Order Nonlinear Optical Responses in the Keto−Enol Equilibrium of Anil Derivatives Journal of Physical Chemistry C. 112: 5638-5645. DOI: 10.1021/Jp711511T |
0.345 |
|
| 2007 |
Mançois F, Sanguinet L, Pozzo JL, Guillaume M, Champagne B, Rodriguez V, Adamietz F, Ducasse L, Castet F. Acido-triggered nonlinear optical switches: benzazolo-oxazolidines. The Journal of Physical Chemistry. B. 111: 9795-802. PMID 17665943 DOI: 10.1021/Jp073386+ |
0.347 |
|
| 2007 |
Guillaume M, Liégeois V, Champagne B, Zutterman F. Time-dependent density functional theory investigation of the absorption and emission spectra of a cyanine dye Chemical Physics Letters. 446: 165-169. DOI: 10.1016/J.Cplett.2007.07.105 |
0.405 |
|
| 2006 |
Guillaume M, Champagne B, Zutterman F. Investigation of the UV/visible absorption spectra of merocyanine dyes using time-dependent density functional theory. The Journal of Physical Chemistry. A. 110: 13007-13. PMID 17134160 DOI: 10.1021/Jp064059P |
0.414 |
|
| 2006 |
Gu FL, Guillaume M, Botek E, Champagne B, Castet F, Ducasse L, Aoki Y. Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-Methyl-4-Nitropyridine 1-Oxide and 2-Methyl-4-Nitroaniline crystals Journal of Computational Methods in Sciences and Engineering Archive. 6: 171-188. DOI: 10.3233/Jcm-2006-61-414 |
0.366 |
|
| 2006 |
Champagne B, Guillaume M, Zutterman F. TDDFT investigation of the optical properties of cyanine dyes Chemical Physics Letters. 425: 105-109. DOI: 10.1016/J.Cplett.2006.05.009 |
0.394 |
|
| 2005 |
Guillaume M, Champagne B. Modeling the electric field third-order nonlinear responses of an infinite aggregate of hexatriene chains using the electrostatic interaction model. Physical Chemistry Chemical Physics : Pccp. 7: 3284-9. PMID 16240042 DOI: 10.1039/B507882M |
0.392 |
|
| 2004 |
Guillaume M, Botek E, Champagne B, Castet F, Ducasse L. Theoretical investigation of the linear and second-order nonlinear susceptibilities of the 3-methyl-4-nitropyridine-1-oxyde (POM) crystal. The Journal of Chemical Physics. 121: 7390-400. PMID 15473810 DOI: 10.1063/1.1790952 |
0.418 |
|
| 2004 |
Guillaume M, Champagne B. Modelisation of the Electric Field Linear Response of an Infinite Aggregate of All-Trans Hexatriene Chains by Electrostatic Interaction Model Structural Chemistry. 15: 385-390. DOI: 10.1023/B:Stuc.0000037894.19107.C9 |
0.37 |
|
| 2002 |
Guillaume M, Botek E, Champagne B, Castet F, Ducasse L. Electronic excitations and first hyperpolarizability of 2‐methyl‐4‐nitroaniline clusters International Journal of Quantum Chemistry. 90: 1378-1387. DOI: 10.1002/Qua.10355 |
0.404 |
|
| 2001 |
Guillaume M, Champagne B, Perpète EA, André J. Möbius strip versus linear and cyclic polyacenes: a Hückel and semiempirical investigation Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 105: 431-436. DOI: 10.1007/S002140000245 |
0.401 |
|
| 2001 |
André J, Champagne B, Perpète EA, Guillaume M. Linear, cyclic, and Möbius strip polyacenes: The influence of the topology on the size-dependent HOMO-LUMO energy gap International Journal of Quantum Chemistry. 84: 607-616. DOI: 10.1002/Qua.1415 |
0.366 |
|
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