Eric A. Perpète

发表

Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range‐separated hybrid functionals

Carlo Adamo, Denis Jacquemin, Ilaria Ciofini, 2008, J. Comput. Chem..

Towards new efficient dye-sensitised solar cells

Eric A. Perpète, Julien Preat, Denis Jacquemin, 2010 .

Dipole polarizability and second hyperpolarizability of difluoroacetylene: Basis set dependence and electron correlation effects

Benoît Champagne, Jozef Noga, Eric A. Perpète, 2004, J. Comput. Methods Sci. Eng..

A theoretical investigation of microhydration of amino acids

Denis Jacquemin, Johan Wouters, Eric A. Perpète, 2010, J. Cheminformatics.

Double proton transfer mechanism in the adenine-uracil base pair and spontaneous mutation in RNA duplex

Denis Jacquemin, Alberto Requena, Eric A. Perpète, 2009 .

Enhanced Efficiency of Organic Dye-Sensitized Solar Cells: Triphenylamine Derivatives

Denis Jacquemin, Eric A. Perpète, Julien Preat, 2009 .

Delocalisation in conjugated triazene chromophores: Insights from theory

Denis Jacquemin, Eric A. Perpète, Julien Preat, 2008 .

Accurate Simulation of Optical Properties in Dyes

Carlo Adamo, Denis Jacquemin, Ilaria Ciofini, 2009 .

Toward a Theoretical Quantitative Estimation of the λmax of Anthraquinones-Based Dyes.

Denis Jacquemin, Eric A. Perpète, Julien Preat, 2006, Journal of chemical theory and computation.

A generalized Romberg differentiation procedure for calculation of hyperpolarizabilities

Denis Jacquemin, Mária Stachová, Eric A. Perpète, 2007 .

Substitution effects on the visible spectra of 1,4-diNHPh-9,10-anthraquinones

Denis Jacquemin, Eric A. Perpète, Julien Preat, 2005 .

Absorption and emission spectra in gas-phase and solution using TD-DFT: Formaldehyde and benzene as case studies

Giovanni Scalmani, Carlo Adamo, Denis Jacquemin, 2006 .

Ab initio calculations of the colour of closed-ring diarylethenes: TD-DFT estimates for molecular switches

Denis Jacquemin, Eric A. Perpète, D. Jacquemin, 2006 .

Quantitative evaluation of solvation and packing effects on the visible absorption of anthraquinone derivatives

Denis Jacquemin, Daniel P. Vercauteren, Eric A. Perpète, 2009 .

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes: Conventional versus Long-Range Hybrids.

Carlo Adamo, Denis Jacquemin, Ilaria Ciofini, 2008, Journal of chemical theory and computation.