Julien Preat

发表

DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: Comparison of two SCRF continuum models

Pierre-François Loos, X. Assfeld, Julien Preat, 2007 .

Improvement of the efficiency of thiophene-bridged compounds for dye-sensitized solar cells

Julien Preat, D. Jacquemin, E. Perpète, 2010 .

Design of new triphenylamine-sensitized solar cells: a theoretical approach.

Julien Preat, D. Jacquemin, E. Perpète, 2010, Environmental science & technology.

Investigation of the photoinduced electron injection processes for p-type triphenylamine-sensitized solar cells

A. Hagfeldt, Julien Preat, E. Perpète, 2011 .

Theoretical investigations of the UV spectra of coumarin derivatives

Julien Preat, D. Jacquemin, E. Perpète, 2005 .

A quantitative prediction of the electronic spectra of thiocarbonyl chromophores: TD-DFT versus SAC-CI

D. P. Vercauteren, Julien Preat, D. Jacquemin, 2008 .

Absorption spectra of azobenzenes simulated with time-dependent density functional theory

I. Ciofini, C. Adamo, D. P. Vercauteren, 2011 .

Thioindigo dyes: highly accurate visible spectra with TD-DFT.

Julien Preat, D. Jacquemin, E. Perpète, 2006, Journal of the American Chemical Society.

An ab initio study of the absorption spectra of indirubin, isoindigo, and related derivatives.

Julien Preat, D. Jacquemin, E. Perpète, 2006, The journal of physical chemistry. A.

Theoretical investigation of the absorption spectrum of thioindigo dyes

Julien Preat, D. Jacquemin, E. Perpète, 2005 .

A TD-DFT investigation of UV spectra of pyranoidic dyes: a NCM vs PCM comparison

Pierre-François Loos, X. Assfeld, Julien Preat, 2007 .

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

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

Ab initio studies of the ? max of naphthoquinones dyes

Julien Preat, D. Jacquemin, E. Perpète, 2007 .

Parameterization of the torsional potential for calix[4]arene‐substituted poly(thiophene)s

Carlos Alemán, Francisco Rodríguez-Ropero, David Zanuy, 2009, J. Comput. Chem..

Theoretical Investigation of the Geometries and UV-vis Spectra of Poly(l-glutamic acid) Featuring a Photochromic Azobenzene Side Chain.

Adèle D. Laurent, Pierre-François Loos, X. Assfeld, 2008, Journal of chemical theory and computation.

Response of crown ether functionalized polythiophenes to alkaline ions.

C. Alemán, D. Zanuy, Julien Preat, 2012, The journal of physical chemistry. B.

Impact of tautomers on the absorption spectra of neutral and anionic alizarin and quinizarin dyes

Adèle D. Laurent, Julien Preat, D. Jacquemin, 2009 .

Ab initio tools for the accurate prediction of the visible spectra of anthraquinones.

Denis Jacquemin, Eric A Perpète, Julien Preat, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A UV/VIS spectra investigation of pH‐sensitive dyes using time‐dependent density functional theory

Julien Preat, D. Jacquemin, E. Perpète, 2010 .

Delocalisation in conjugated triazene chromophores: Insights from theory

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

Towards the understanding of the absorption spectra of NAD(P)H/NAD(P)+ as a common indicator of dehydrogenase enzymatic activity

J. Wouters, Julien Preat, D. Jacquemin, 2007 .

Tayloring standard TDDFT approaches for computing UV/Vis transitions in thiocarbonyl chromophores

Julien Preat, D. Jacquemin, E. Perpète, 2007 .

Substitution and chemical environment effects on the absorption spectrum of indigo.

Julien Preat, D. Jacquemin, E. Perpète, 2006, The Journal of chemical physics.

Sensing abilities of crown ether functionalized polythiophenes.

C. Alemán, D. Zanuy, J. Casanovas, 2009, Chemistry.

Theoretical investigation of substituted anthraquinone dyes.

Julien Preat, D. Jacquemin, E. Perpète, 2004, The Journal of chemical physics.

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

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

Towards new efficient dye-sensitised solar cells

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

2,6‐Dihydroxyanthraquinone: an isomer of the well known alizarin dye

J. Wouters, Julien Preat, D. Jacquemin, 2006 .

A TD-DFT investigation of the visible spectra of fluoro-anthraquinones

Julien Preat, D. Jacquemin, E. Perpète, 2007 .

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.

Comparison of theoretical approaches for predicting the UV/Vis spectra of anthraquinones

X. Assfeld, Julien Preat, D. Jacquemin, 2007 .

Absorption Spectra of Recently Synthesised Organic Dyes: A TD-DFT Study

C. Adamo, Julien Preat, D. Jacquemin, 2010 .

Assessment of PBE0 for Evaluating the Absorption Spectra of Carbonyl Molecules

Julien Preat, D. Jacquemin, E. Perpète, 2006 .

Time-dependent density functional theory determination of the absorption spectra of naphthoquinones

Julien Preat, D. Jacquemin, E. Perpète, 2006 .

Specific interactions in complexes formed by DNA and conducting polymer building blocks: guanine and 3,4-(ethylenedioxy)thiophene.

C. Alemán, Julien Preat, E. Perpète, 2011, The journal of physical chemistry. A.

Binding of cationic conjugated polymers to DNA: atomistic simulations of adducts involving the Dickerson's dodecamer.

C. Alemán, D. Zanuy, Julien Preat, 2011, Biomacromolecules.

A TD-DFT study of the absorption spectra of fast dye salts

Julien Preat, D. Jacquemin, E. Perpète, 2005 .

Sensing mechanism of calix[4]arene-substituted poly(thiophene) ion receptor: effects of the selectivity on the molecular rigidity.

C. Alemán, D. Zanuy, F. Rodríguez-Ropero, 2009, The journal of physical chemistry. B.

Photoinduced Energy-Transfer and Electron-Transfer Processes in Dye-Sensitized Solar Cells: TDDFT Insights for Triphenylamine Dyes

Julien Preat, Julien Preat, 2010 .

Towards the understanding of the chromatic behaviour of triphenylmethane derivatives

Julien Preat, D. Jacquemin, E. Perpète, 2007 .

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

Julien Preat, D. Jacquemin, E. Perpète, 2006, Journal of chemical theory and computation.