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1

Probing alkylsilane molecular structure on amorphous silica surfaces by sum frequency generation vibrational spectroscopy: First-principles calculations

Tetsassi Feugmo, Conrard Giresse, Liégeois, Vincent, Caudano, Yves, Cecchet, Francesca, Champagne, Benoît

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.99 MB

english, 2019

2

Ion-Channel Modulators: More Diversity Than Previously Thought

Dr. Sébastien Dilly, Cédric Lamy, Neil V. Marrion, Jean-François Liégeois, Vincent Seutin

Journal:

Year:

2011

Language:

english

File:

PDF, 1.27 MB

english, 2011

3

ChemInform Abstract: Ion-Channel Modulators: More Diversity Than Previously Thought

Sebastien Dilly, Cedric Lamy, Neil V. Marrion, Jean-Francois Liegeois, Vincent Seutin

Journal:

Year:

2011

File:

PDF, 18 KB

2011

4

Theoretical Determination of the Vibrational Raman Optical Activity Signatures of Helical Polypropylene Chains

Ewa Lamparska, Vincent Liégeois, Olivier Quinet, Benoît Champagne

Journal:

Year:

2006

Language:

english

File:

PDF, 612 KB

english, 2006

5

A Vibrational Raman Optical Activity Study of 1,1′-Binaphthyl Derivatives

Vincent Liégeois

Journal:

Year:

2009

Language:

english

File:

PDF, 956 KB

english, 2009

6

Vibrational Raman optical activity of π-conjugated helical systems: Hexahelicene and heterohelicenes

Vincent Liégeois, Benoît Champagne

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 1.24 MB

english, 2009

7

The ring current model of the pentaprismane molecule

Stefano Pelloni, Raphaël Carion, Vincent Liégeois, Paolo Lazzeretti

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 2.39 MB

english, 2011

8

Bis-tetrahydroisoquinoline derivatives: AG525E1, a new step in the search for non-quaternary non-peptidic small conductance Ca2+-activated K+ channel blockers

Amaury Graulich, Cédric Lamy, Livia Alleva, Sébastien Dilly, Philippe Chavatte, Johan Wouters, Vincent Seutin, Jean-François Liégeois

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2008

Language:

english

File:

PDF, 202 KB

english, 2008

9

Corrigendum to “Bis-tetrahydroisoquinoline derivatives: AG525E1, a new step in the search for non-quaternary non-peptidic small conductance Ca2+-activated K+ channel blockers” [Bioorg. Med. Chem. Lett. 19 18 (2008) 3440]

Amaury Graulich, Cédric Lamy, Livia Alleva, Sébastien Dilly, Philippe Chavatte, Johan Wouters, Vincent Seutin, Jean-François Liégeois

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2010

File:

PDF, 105 KB

2010

10

Time-dependent density functional theory investigation of the absorption and emission spectra of a cyanine dye

Maxime Guillaume, Vincent Liégeois, Benoît Champagne, Freddy Zutterman

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 649 KB

english, 2007

11

Analysis of the VROA signals of helical heptasilanes using an atomistic approach

Vincent Liégeois, Olivier Quinet, Benoît Champagne, Jacques Haesler, Gérard Zuber, Werner Hug

Journal:

Vibrational Spectroscopy

Year:

2006

Language:

english

File:

PDF, 945 KB

english, 2006

12

Investigation of polyethylene helical conformations: Theoretical study by vibrational Raman optical activity

Vincent Liégeois, Olivier Quinet, Benoît Champagne

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 226 KB

english, 2006

13

SK channels control the firing pattern of midbrain dopaminergic neurons in vivo

Olivier Waroux, Laurent Massotte, Livia Alleva, Amaury Graulich, Elizabeth Thomas, Jean-François Liégeois, Jacqueline Scuvée-Moreau, Vincent Seutin

Journal:

European Journal of Neuroscience

Year:

2005

Language:

english

File:

PDF, 494 KB

english, 2005

14

SK channel blockade promotes burst firing in dorsal raphe serotonergic neurons

Nathalie Rouchet, Olivier Waroux, Cédric Lamy, Laurent Massotte, Jacqueline Scuvée-Moreau, Jean-François Liégeois, Vincent Seutin

Journal:

European Journal of Neuroscience

Year:

2008

Language:

english

File:

PDF, 368 KB

english, 2008

15

M-type channels selectively control bursting in rat dopaminergic neurons

Guillaume Drion, Maxime Bonjean, Olivier Waroux, Jacqueline Scuvée-Moreau, Jean-François Liégeois, Terrence J. Sejnowski, Rodolphe Sepulchre, Vincent Seutin

Journal:

European Journal of Neuroscience

Year:

2010

Language:

english

File:

PDF, 903 KB

english, 2010

16

Electrophysiological characterization of the SK channel blockers methyl-laudanosine and methyl-noscapine in cell lines and rat brain slices

Jacqueline Scuvée-Moreau, Andre Boland, Amaury Graulich, Lionel Van Overmeire, Dieter D'hoedt, Fabienne Graulich-Lorge, Elizabeth Thomas, Aude Abras, Martin Stocker, Jean-Francois Liégeois, Vincent Se

Journal:

British Journal of Pharmacology

Year:

2004

Language:

english

File:

PDF, 288 KB

english, 2004

17

Functionalized Dithienylthiazolo[5,4-d]thiazoles For Solution-Processable Organic Field-Effect Transistors

Dr. Sarah Van Mierloo, Karolien Vasseur, Niko Van den Brande, Dr. Ayse E. Boyukbayram, Bart Ruttens, Silvio D. Rodriguez, Dr. Edith Botek, Dr. Vincent Liégeois, Dr. Jan D'Haen, Prof. Dr. Peter J. Adri

Journal:

Year:

2012

Language:

english

File:

PDF, 1.82 MB

english, 2012

18

Synthesis and radioligand binding studies of bis-(8-isopropyl-isoquinolinium) derivatives as ligands for apamin-sensitive sites on cloned SK2 and SK3 channels

Eduard Badarau, Sébastien Dilly, Fabien Dufour, Sylvie Poncin, Vincent Seutin, Jean-François Liégeois

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 467 KB

english, 2011

19

The sigma agonist 1,3-di-o-tolyl-guanidine directly blocks SK channels in dopaminergic neurons and in cell lines

Cédric Lamy, Jacqueline Scuvée-Moreau, Sébastien Dilly, Jean-François Liégeois, Vincent Seutin

Journal:

European Journal of Pharmacology

Year:

2010

Language:

english

File:

PDF, 408 KB

english, 2010

20

Effects of JL 3, a putative antidepressant, on rat noradrenergic and serotonergic systems

Jean-François Liégeois, Vincent Seutin, Jacqueline Scuvée-Moreau, Albert Dresse, Jacques Bruhwyler, Joseph Géczy, Jacques Delarge, Jacques Damas

Journal:

European Journal of Pharmacology

Year:

1999

Language:

english

File:

PDF, 264 KB

english, 1999

21

Moderate chemical modifications of WAY-100635 improve the selectivity for 5-HT1A versus D4 receptors

Floriane Mangin, Sébastien Dilly, Benoît Joly, Jacqueline Scuvée-Moreau, Jon Evans, Vincent Setola, Bryan L. Roth, Jean-François Liégeois

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 465 KB

english, 2012

22

Clinical and pathologic features of nephrogenic fibrosing dermopathy: A report of two cases

Brian N. Streams, Vincent Liu, Nanette Liégeois, Samuel M. Moschella

Journal:

Journal of the American Academy of Dermatology

Year:

2003

Language:

english

File:

PDF, 288 KB

english, 2003

23

Synthesis and Radioligand Binding Studies of C-5- and C-8-Substituted 1-(3,4-Dimethoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinoliniums as SK Channel Blockers Related to N -Methyl-laudanosine and N -Methyl-noscapine

Graulich, Amaury, Scuvée-Moreau, Jacqueline, Seutin, Vincent, Liégeois, Jean-François

Journal:

Journal of Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 185 KB

english, 2005

24

TDHF Evaluation of the Dipole−Quadrupole Polarizability and Its Geometrical Derivatives

Quinet, Olivier, Liégeois, Vincent, Champagne, Benoît

Journal:

Journal of Chemical Theory and Computation

Year:

2005

Language:

english

File:

PDF, 134 KB

english, 2005

25

Basis Set and Density Functional Dependence of Vibrational Raman Optical Activity Calculations

Reiher, Markus, Liégeois, Vincent, Ruud, Kenneth

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 167 KB

english, 2005

26

The interactions of apamin and tetraethylammonium are differentially affected by single mutations in the pore mouth of small conductance calcium-activated potassium (SK) channels

Dilly, Sébastien, Philippart, Fabian, Lamy, Cédric, Poncin, Sylvie, Snyders, Dirk, Seutin, Vincent, Liégeois, Jean-François

Journal:

Biochemical Pharmacology

Year:

2013

Language:

english

File:

PDF, 1.36 MB

english, 2013

27

Implementation in the Pyvib2 program of the localized mode method and application to a helicene

Vincent Liégeois, Benoît Champagne

Journal:

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

Year:

2012

Language:

english

File:

PDF, 1.17 MB

english, 2012

28

Identification of a pharmacophore of SKCa channel blockers

Dilly, Sebastien, Graulich, Amaury, Farce, Amaury, Seutin, Vincent, Liegeois, Jean-Francois, Chavatte, Philippe

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 413 KB

english, 2005

29

Synthesis and Radioligand Binding Studies of Bis-isoquinolinium Derivatives as Small Conductance Ca 2+ -Activated K + Channel Blockers

Graulich, Amaury, Dilly, Sébastien, Farce, Amaury, Scuvée-Moreau, Jacqueline, Waroux, Olivier, Lamy, Cédric, Chavatte, Philippe, Seutin, Vincent, Liégeois, Jean-François

Journal:

Journal of Medicinal Chemistry

Year:

2007

Language:

english

File:

PDF, 112 KB

english, 2007

30

Enhanced open-circuit voltage in polymer solar cells by dithieno[3,2-b:2′,3′-d]pyrrole N-acylation

Vanormelingen, Wouter, Kesters, Jurgen, Verstappen, Pieter, Drijkoningen, Jeroen, Kudrjasova, Julija, Koudjina, Simplice, Liégeois, Vincent, Champagne, Benoît, Manca, Jean, Lutsen, Laurence, Vanderzan

Journal:

Journal of Materials Chemistry A

Year:

2014

Language:

english

File:

PDF, 774 KB

english, 2014

31

Evaluation of the molecular static and dynamic first hyperpolarizabilities

de Wergifosse, Marc, Liégeois, Vincent, Champagne, Benoît

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 577 KB

english, 2014

32

Effects of the basis set and of the exchange–correlation functional on the Inelastic Electron Tunneling signatures of 1,4-benzenedithiol

Ségerie, Audrey, Lin, Li-Li, Liégeois, Vincent, Luo, Yi, Champagne, Benoît

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 866 KB

english, 2014

33

Towards modelling the vibrational signatures of functionalized surfaces: carboxylic acids on H–Si(111) surfaces

Tetsassi Feugmo, Conrard Giresse, Champagne, Benoît, Caudano, Yves, Cecchet, Francesca, Chabal, Yves J, Liégeois, Vincent

Journal:

Journal of Physics Condensed Matter

Year:

2012

Language:

english

File:

PDF, 1.91 MB

english, 2012

34

Analysis of the Resonant Raman Spectra of Viologens and of Their Radical Cations Using Range-Separated Hybrid Density Functionals

Romanova, Julia, Liégeois, Vincent, Champagne, Benoît

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 4.76 MB

english, 2014

35

Theoretical Investigation of Raman Optical Activity Signatures of Tröger’s Base

Liégeois, Vincent, Champagne, Benoît

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.83 MB

english, 2011

36

Theoretical Insight into the Inelastic Electron Tunneling Spectra of an Anil Derivative

Ségerie, Audrey, Liégeois, Vincent, Champagne, Benoît, Lin, Li-Li, Luo, Yi

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 4.51 MB

english, 2013

37

Synthesis and Radioligand Binding Studies of Methoxylated 1,2,3,4-Tetrahydroisoquinolinium Derivatives as Ligands of the Apamin-Sensitive Ca 2+ -Activated K + Channels

Graulich, Amaury, Scuvée-Moreau, Jacqueline, Alleva, Livia, Lamy, Cédric, Waroux, Olivier, Seutin, Vincent, Liégeois, Jean-François

Journal:

Journal of Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 98 KB

english, 2006

38

Resonant Raman spectra of molecules with diradical character: multiconfigurational wavefunction investigation of neutral viologens

Romanova, Julia, Liégeois, Vincent, Champagne, Benoît

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.86 MB

english, 2014

39

Bis-(1,2,3,4-tetrahydroisoquinolinium): A Chiral Scaffold for Developing High-Affinity Ligands for SK Channels

Liégeois, Jean-François, Wouters, Johan, Seutin, Vincent, Dilly, Sébastien

Journal:

Year:

2014

Language:

english

File:

PDF, 272 KB

english, 2014

40

Chemical modifications of the N-methyl-laudanosine scaffold point to new directions for SK channels exploration

Badarau, Eduard, Dilly, Sébastien, Wouters, Johan, Seutin, Vincent, Liégeois, Jean-François

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

41

Inelastic Electron Tunneling of C 60 on Gold Surfaces from First-Principles Calculations

Ségerie, Audrey, Liégeois, Vincent, Champagne, Benoît

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.79 MB

english, 2015

42

Pigment violet 19 – a test case to define a simple method to simulate the vibronic structure of absorption spectra of organic pigments and dyes in solution

Champagne, Benoît, Liégeois, Vincent, Zutterman, Freddy

Journal:

Photochemical & Photobiological Sciences

Year:

2015

Language:

english

File:

PDF, 1.64 MB

english, 2015

43

Analyzing the Vibrational Signatures of Thiophenol Adsorbed on Small Gold Clusters by DFT Calculations

Tetsassi Feugmo, Conrard Giresse, Liégeois, Vincent

Journal:

Year:

2013

Language:

english

File:

PDF, 3.72 MB

english, 2013

44

Theoretical Investigation of Vibrational Sum-Frequency Generation Signatures of Functionalized H—Si(111)

Tetsassi Feugmo, Conrard Giresse, Liégeois, Vincent, Champagne, Benoît

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.24 MB

english, 2015

45

Structural analysis of some bis-(8-isopropyl-isoquinolinium) derivatives reveals a preferential folded conformation leading to a stereoselective attack by sodium borohydride

Dilly, Sébastien, Badarau, Eduard, Dufour, Fabien, Nistor, Iolanda, Hubert, Philippe, Seutin, Vincent, Wouters, Johan, Liégeois, Jean-François

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.50 MB

english, 2014

46

Crucial role of a shared extracellular loop in apamin sensitivity and maintenance of pore shape of small-conductance calcium-activated potassium (SK) channels

Kate L. Weatherall, Vincent Seutin, Jean-François Liégeois and Neil V. Marrion

Journal:

Proceedings of the National Academy of Sciences

Year:

2011

Language:

english

File:

PDF, 1.71 MB

english, 2011

47

Numerical differentiation method to calculate molecular properties at ground and excited states – Application to Julolidinemalononitrile

Louant, Orian, Champagne, Benoît, Liégeois, Vincent

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.48 MB

english, 2015

48

Perception du pronostic des tumeurs mammaires pT1a,b pN0 par la communauté oncologique française : résultats de l’enquête nationale EURISTIC

Spielmann, Marc, Dalenc, Florence, Pointreau, Yoann, Azria, David, Classe, Jean-Marc, Dromain, Clarisse, Facchini, Thomas, Gonçalves, Anthony, Liegeois, Philippe, Namer, Moïse, Pivot, Xavier, Vincent-

Journal:

Bulletin du Cancer

Year:

2016

File:

PDF, 1.21 MB

2016

49

Beta Sheets with a Twist: The Conformation of Helical Polyisocyanopeptides Determined by Using Vibrational Circular Dichroism

Schwartz, Erik, Liégeois, Vincent, Koepf, Matthieu, Bodis, Pavol, Cornelissen, Jeroen J. L. M., Brocorens, Patrick, Beljonne, David, Nolte, Roeland J. M., Rowan, Alan E., Woutersen, Sander, Champagne,

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 784 KB

english, 2013

50

Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials

Rauhalahti, Markus, Taubert, Stefan, Sundholm, Dage, Liégeois, Vincent

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 7.76 MB

english, 2017