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1

Towards new efficient dye-sensitised solar cells

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

Journal:

Energy & Environmental Science

Year:

2010

Language:

english

File:

PDF, 460 KB

english, 2010

2

Thioindigo Dyes: Highly Accurate Visible Spectra with TD-DFT

Jacquemin, Denis, Preat, Julien, Wathelet, Valérie, Fontaine, Michèle, Perpète, Eric A.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 367 KB

english, 2006

3

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

Jacquemin, Denis, Perpète, Eric A., Scuseria, Gustavo E., Ciofini, Ilaria, Adamo, Carlo

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 139 KB

english, 2008

4

Vibrational frequencies of H2O and CO2 from Car-Parrinello molecular dynamics

Valérie Wathelet, Benoît Champagne, David H. Mosley, Éric A. Perpète, Jean-Marie André

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 516 KB

english, 1998

5

Confinement of a β-barrel protein in nanoperforated free-standing nanomembranes for ion transport

Puiggali-Jou, Anna, Pérez-Madrigal, Maria M., del Valle, Luis J, Armelin, Elaine, Casas, Maria T, Michaux, Catherine, Perpète, Eric, Estrany, Francesc, Aleman, Carlos

Journal:

Year:

2016

Language:

english

File:

PDF, 1.61 MB

english, 2016

6

Fate of the worty flavours in a cold contact fermentation

Philippe Perpète, Sonia Collin

Journal:

Year:

1999

Language:

english

File:

PDF, 188 KB

english, 1999

7

Assessment of Added Glutathione in Yeast Propagations, Wort Fermentations, and Beer Storage

Gijs, Laurence, Perpète, Philippe, Timmermans, Aurore, Guyot-Declerck, Christine, Delincé, Perrine, Collin, Sonia

Journal:

Journal of the American Society of Brewing Chemists

Year:

2004

Language:

english

File:

PDF, 318 KB

english, 2004

8

Cloning and functional characterization of Δ6 fatty acid desaturase (FADS2) in Eurasian perch (Perca fluviatilis)

Geay, F., Tinti, E., Mellery, J., Michaux, C., Larondelle, Y., Perpète, E., Kestemont, P.

Journal:

Comparative Biochemistry and Physiology Part B: Biochemistry and Molecular Biology

Year:

2016

Language:

english

File:

PDF, 5.58 MB

english, 2016

9

Absorption and emission spectra of 1,8-naphthalimide fluorophores: A PCM-TD-DFT investigation

Denis Jacquemin, Eric A. Perpète, Giovanni Scalmani, Ilaria Ciofini, Cyril Peltier, Carlo Adamo

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 490 KB

english, 2010

10

Photochromic properties of a dithienylethene–indolinooxazolidine switch: A theoretical investigation

Denis Jacquemin, Eric A. Perpète, François Maurel, Aurélie Perrier

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 950 KB

english, 2011

11

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

Denis Jacquemin, Julien Preat, Eric A. Perpète

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 175 KB

english, 2005

12

An ab initio simulation of the UV/visible spectra of N-benzylideneaniline dyes

Denis Jacquemin, Adèle D. Laurent, Eric A. Perpète, Jean-Marie André

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 315 KB

english, 2009

13

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

Denis Jacquemin, Julien Preat, Eric A. Perpète, Daniel P. Vercauteren, Jean-Marie André, Ilaria Ciofini, Carlo Adamo

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 253 KB

english, 2011

14

Electronic and vibrational first hyperpolarizabilities of polymethineimine oligomers

E.A. Perpète, B. Champagne, D. Jacquemin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 197 KB

english, 2000

15

Theoretical computation of Betain B30 solvatochromism using a Polarizable Continuum Model

Etienne, Thibaud, Michaux, Catherine, Monari, Antonio, Assfeld, Xavier, Perpète, Eric A.

Journal:

Dyes and Pigments

Year:

2014

Language:

english

File:

PDF, 2.54 MB

english, 2014

16

Second-Order Møller−Plesset Evaluation of the Bond Length Alternation of Several Series of Linear Oligomers

Jacquemin, Denis, Femenias, Antoine, Chermette, Henry, André, Jean-Marie, Perpète, Eric A.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 110 KB

english, 2005

17

Hybrid dithienylethene-naphthopyran multi-addressable photochromes: an ab initio analysis

Jacquemin, Denis, Perpète, Eric A., Maurel, François, Perrier, Aurélie

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.11 MB

english, 2010

18

Multiscale molecular dynamics simulations of sodium dodecyl sulfate micelles: from coarse-grained to all-atom resolution

Roussel, Guillaume, Michaux, Catherine, Perpète, Eric A.

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 1.68 MB

english, 2014

19

[Computer Aided Chemical Engineering] Multiscale Modelling of Polymer Properties Volume 22 || Postface

Year:

2006

Language:

english

File:

PDF, 90 KB

english, 2006

20

Influence of the surrounding environment in re-naturalized β-barrel membrane proteins

Lopes-Rodrigues, Maximilien, Triguero, Jordi, Torras, Juan, Perpète, Eric A., Michaux, Catherine, Zanuy, David, Alemán, Carlos

Journal:

Biophysical Chemistry

Year:

2018

Language:

english

File:

PDF, 2.14 MB

english, 2018

21

Yeast ADHI Disruption: A Way to Promote Carbonyl Compounds Reduction in Alcohol-Free Beer Production

Evellin, Frédéric, Perpète, Philippe, Collin, Sonia

Journal:

Journal of the American Society of Brewing Chemists

Year:

1999

Language:

english

File:

PDF, 375 KB

english, 1999

22

Assessment of the ωB97 family for excited-state calculations

Denis Jacquemin, Eric A. Perpète, Ilaria Ciofini, Carlo Adamo

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 352 KB

english, 2011

23

Determination of the bond length alternation of polyacetylene, polydiacetylene and polybutatriene from MP2 oligomeric investigations

E.A Perpète, B Champagne

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 92 KB

english, 1999

24

Role of the Different Mitogen-Activated Protein Kinase Subfamilies in the Stimulation of Dog and Human Thyroid Epithelial Cell Proliferation by Cyclic Adenosine 5′-Monophosphate and Growth Factors

Vandeput, Fabrice, Perpete, Sandrine, Coulonval, Katia, Lamy, Françoise, Dumont, Jacques E.

Journal:

Year:

2003

Language:

english

File:

PDF, 256 KB

english, 2003

25

ELECTRONIC AND VIBRATIONAL POLARIZABILITIES OF BUCKMINSTERFULLERENE

Eric A. Perpète, Jean-Marie André, BenoǏT Champagne, Patrick Senet, Philippe Lambin, Amand A. Lucas

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1994

Language:

english

File:

PDF, 585 KB

english, 1994

26

Curvature versus nuclear relaxation contributions to the static vibrational polarizability of polyacetylene chains

Benoît Champagne, Hervé Vanderhoeven, Éric A. Perpète, Jean-Marie André

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 537 KB

english, 1996

27

Investigation of the complexation reaction between 2-diethylaminomethyl-4-methylphenol and ZnCl2. Reaction mechanism and solvent effects

R. Ghailane, E. Perpète, X. Assfeld

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 327 KB

english, 2006

28

Ab Initio Assessment of the First Hyperpolarizability of Saturated and Unsaturated Polyaminoborane/Polyphosphinoborane Copolymers

Jacquemin, Denis, Perpète, Eric A.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 105 KB

english, 2005

29

Effects of Chain Substitution on the Structures and Properties of Polyphosphinoborane

Jacquemin, Denis, Wathelet, Valérie, Perpète, Eric A.

Journal:

Year:

2004

Language:

english

File:

PDF, 122 KB

english, 2004

30

[IEEE 2011 International Conference on Emerging Trends in Electrical and Computer Technology (ICETECT 2011) - Nagercoil, India (2011.03.23-2011.03.24)] 2011 International Conference on Emerging Trends in Electrical and Computer Technology - FPGA accelerated partial volume interpolation

John Moses, C., Perpet Beena, J., Selvathi, D., Sajitha Rani, S.

Year:

2011

Language:

english

File:

PDF, 1.06 MB

english, 2011

31

Contaminated enteral nutrition solutions as a cause of nosocomial bloodstream infection: a study using plasmid fingerprinting

Levy, J, Van Laethem, Y, Verhaegen, G, Perpete, C, Butzler, J., Wenzel, R.

Journal:

Journal of Parenteral and Enteral Nutrition

Year:

1989

Language:

english

File:

PDF, 874 KB

english, 1989

32

Thermomechanical Response of a Representative Porin for Biomimetics

Lopes-Rodrigues, Maximilien, Puiggalí-Jou, Anna, Martí-Balleste, Didac, del Valle, Luis J., Michaux, Catherine, Perpète, Eric A., Alemán, Carlos

Journal:

Year:

2018

Language:

english

File:

PDF, 2.84 MB

english, 2018

33

3D structure of a Brucella melitensis porin: molecular modelling in lipid membranes

Lopes-Rodrigues, Maximilien, Zanuy, David, Alemán, Carlos, Michaux, Catherine, Perpète, Eric A.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2018

Language:

english

File:

PDF, 2.36 MB

english, 2018

34

Nonresonant frequency dispersion of the electronic second hyperpolarizability of all-trans polysilane chains: An ab initio TDHF oligomeric approach

Benoît Champagne, Éric A. Perpète, Jean-Marie André

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 345 KB

english, 1998

35

Longitudinal NLO properties of C2H2, HCCF, and C2F2: Electron correlation and vibration effects

Miroslav Medveď, Jozef Noga, Denis Jacquemin, Eric A. Perpète

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 153 KB

english, 2005

36

Influence of beer ethanol content on the wort flavour perception

Philippe Perpète, Sonia Collin

Journal:

Year:

2000

Language:

english

File:

PDF, 254 KB

english, 2000

37

Design of New Triphenylamine-Sensitized Solar Cells: A Theoretical Approach

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

Journal:

Environmental Science & Technology

Year:

2010

Language:

english

File:

PDF, 1.24 MB

english, 2010

38

Analysis of the vibrational static and dynamic second hyperpolarizabilities of polyacetylene chains

Benoît Champagne, Éric A. Perpète

Journal:

Synthetic Metals

Year:

1997

Language:

english

File:

PDF, 480 KB

english, 1997

39

( S )-1-(Pent-4′-enoyl)-4-(hydroxymethyl)-azetidin-2-one derivatives as inhibitors of human fatty acid amide hydrolase ( h FAAH): synthesis, biological evaluation and molecular modelling

Caruano, Joséphine, Feledziak, Marion, Labar, Geoffray, Michaux, Catherine, Perpète, Eric A., Muccioli, Giulio G., Robiette, Raphaël, Marchand-Brynaert, Jacqueline

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 896 KB

english, 2014

40

Peptide-surfactant interactions: A combined spectroscopic and molecular dynamics simulation approach

Roussel, Guillaume, Caudano, Yves, Matagne, André, Sansom, Mark S., Perpète, Eric A., Michaux, Catherine

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2017

Language:

english

File:

PDF, 1.08 MB

english, 2017

41

Direct correlation between the load of Epstein-Barr virus-infected lymphocytes in the peripheral blood of pediatric transplant patients and risk of lymphoproliferative disease

Savoie, A, Perpete, C, Carpentier, L, Joncas, J, Alfieri, C

Journal:

Year:

1994

File:

PDF, 1.36 MB

1994

42

Ab initio studies of the static electronic first hyperpolarizability of polysilanenitrile

Daisy Y. Zhang, Claude Pouchan, Denis Jacquemin, Eric A. Perpète

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 134 KB

english, 2005

43

A theoretical investigation of microhydration of cationic amino acids

C Michaux, J Wouters, D Jacquemin, EA Perpète

Journal:

Chemistry Central Journal

Year:

2009

Language:

english

File:

PDF, 64 KB

english, 2009

44

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

Julien Preat, Denis Jacquemin, Eric A. Perpète

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 147 KB

english, 2010

45

Second-Order ab Initio Møller−Plesset Study of Optimum Chain Length for Total (Electronic Plus Vibrational) β(−ω σ ;ω 1 ,ω 2 ) of a Prototype Push-Pull Polyene

Jacquemin, Denis, Champagne, Benoît, Perpète, Eric A., Luis, Josep M., Kirtman, Bernard

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 102 KB

english, 2001

46

Evidence of Strecker Aldehyde Excretion by Yeast in Cold Contact Fermentations

Perpète, Philippe, Collin, Sonia

Journal:

Journal of Agricultural and Food Chemistry

Year:

2000

Language:

english

File:

PDF, 241 KB

english, 2000

47

Towards the understanding of the chromatic behaviour of triphenylmethane derivatives

Julien Preat, Denis Jacquemin, Valérie Wathelet, Jean-Marie André, Eric A. Perpète

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 322 KB

english, 2007

48

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

Julien Preat, Denis Jacquemin, Daniel P. Vercauteren, Eric A. Perpète

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2008

Language:

english

File:

PDF, 235 KB

english, 2008

49

Methionine catabolism in Saccharomyces cerevisiae

Philippe Perpète, Olivier Duthoit, Simon De Maeyer, Louise Imray, Andrew I. Lawton, Konstantinos E. Stavropoulos, Virginia W. Gitonga, Michael J. E. Hewlins, J. Richard Dickinson

Journal:

FEMS Yeast Research

Year:

2006

Language:

english

File:

PDF, 227 KB

english, 2006

50

Purification, refolding and characterization of the trimeric Omp2a outer membrane porin from Brucella melitensis

G. Roussel, A. Matagne, X. De Bolle, E.A. Perpète, C. Michaux

Journal:

Protein Expression and Purification

Year:

2012

Language:

english

File:

PDF, 754 KB

english, 2012

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