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1

Assigning the 625 cm−1 and other high frequency Raman bands of the Z1 form of DNA using a normal modes analysis and computer graphics

G Vergoten, P Lagant, W.L. Peticolas, Y Moschetto, I Morize, M.C. Vaney, J P Mornon

Journal:

Journal of Molecular Graphics

Year:

1986

Language:

english

File:

PDF, 394 KB

english, 1986

2

Structure moléculaire des dérivés nitrés aromatiques. I. Etats électroniques singulets du mono et du 1,3,5-trinitrobenzène

J. Boileau, M. Blain, S. Odiot, J.-M. Leclercq, S. Fliszar, G. Vergoten, C. Fleury

Journal:

Propellants, Explosives, Pyrotechnics

Year:

1981

File:

PDF, 285 KB

1981

3

Resonance Raman spectra for purine

M Majoube, Ph Millié, L Chinsky, P.Y Turpin, G Vergoten

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 863 KB

english, 1995

4

Density functional theory and empirical derived force fields for the delocalized polaron form of polyaniline: Application to properties determination of an isolated oligomer using molecular dynamics simulations

Z. Cherrak, P. Lagant, N. Benharrats, A. Semmoud, F. Hamdache, G. Vergoten

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2005

Language:

english

File:

PDF, 133 KB

english, 2005

5

Predicting carbohydrate chain and heterocyclic ring coupling constants in monosaccharides using gmmx conformational searching 1

Fred L. Tobiason, Gérard Vergoten, Joël Mazurier

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 1.03 MB

english, 1997

6

The Effect of Urea on the Structure of Water: A Molecular Dynamics Simulation

Idrissi, A., Gerard, M., Damay, P., Kiselev, M., Puhovsky, Y., Cinar, E., Lagant, P., Vergoten, G.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 386 KB

english, 2010

7

Molecular mechanics investigation of some acrylic polymers using SPASIBA force field

Bensaid, M.O., Ghalouci, L., Hiadsi, S., Lakhdari, F., Benharrats, N., Vergoten, G.

Journal:

Vibrational Spectroscopy

Year:

2014

Language:

english

File:

PDF, 920 KB

english, 2014

8

Spectroscopie Vibrationnelle de Cristaux Liquides: 1 spectres Raman de la ( p -méthoxy)benzylidène ( p-n -butyl)aniline (MBBA) dans les phases solide, nematique et liquide isotrope

Vergoten, Gérard, Fleury, Guy

Journal:

Molecular Crystals and Liquid Crystals

Year:

1975

Language:

english

File:

PDF, 423 KB

english, 1975

9

The SPASIBA Force Field for Studying Iron-Tannins Interactions : Application to Fe3+ /Fe2+ Catechol Complexe

Yapo-Kicho, D., Lagant, P., Vergoten, G.

Journal:

International Journal of Molecular Sciences

Year:

2007

Language:

english

File:

PDF, 212 KB

english, 2007

10

Glycyrrhizin: An alternative drug for the treatment of COVID-19 infection and the associated respiratory syndrome?

Bailly, Christian, Vergoten, GÃ©rard

Journal:

Pharmacology & Therapeutics

Year:

2020

File:

PDF, 703 KB

2020

11

N-glycosylation of High Mobility Group Box 1 protein (HMGB1) modulates the interaction with glycyrrhizin: a molecular modeling study

Vergoten, GÃ©rard, Bailly, Christian

Journal:

Computational Biology and Chemistry

Year:

2020

File:

PDF, 1.91 MB

2020

12

Esculentosides: Insights into the potential health benefits, mechanisms of action and molecular targets

Bailly, Christian, Vergoten, GÃ©rard

Journal:

Year:

2020

File:

PDF, 2.26 MB

2020

13

A force field derived by density functional theory for 4-ethylimidazole: use of the ultraviolet resonance Raman intensities to check the vibrational analysis

H. Gallouj, P. Lagant, G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1997

Language:

english

File:

PDF, 238 KB

english, 1997

14

A density functional theory-derived force field for 3-ethylindole. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

H. Gallouj, P. Lagant, G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1998

Language:

english

File:

PDF, 256 KB

english, 1998

15

Determination of force fields for nucleic acid bases. use of the ultraviolet resonance Raman intensities to check the vibrational assignments

P. Lagant, G. Vergoten, W. L. Peticolas

Journal:

Journal of Raman Spectroscopy

Year:

1999

Language:

english

File:

PDF, 82 KB

english, 1999

16

Mechanism of inhibition of rat liver bilirubin UDP-glucuronosyltransferase by triphenylalkyl derivatives

Mourad Said, Eric Battaglia, Abdelaziz Elass, Virginie Cano, Jean-Claude Ziegler, Alain Cartier, Marie-Hélène Livertoux, Gérard Vergoten, Sylvie Fournel-Gigleux, Jacques Magdalou

Journal:

Journal of Biochemical and Molecular Toxicology

Year:

1998

Language:

english

File:

PDF, 126 KB

english, 1998

17

On the use of ultraviolet resonance Raman intensities to elaborate molecular force fields: Application to nucleic acid bases and aromatic amino acid residues models

P. Lagant, G. Vergoten, W. L. Peticolas

Journal:

Biospectroscopy

Year:

1998

Language:

english

File:

PDF, 177 KB

english, 1998

18

Molecular dynamics simulations of biomembrane models

Journal:

Biospectroscopy

Year:

1998

Language:

english

File:

PDF, 119 KB

english, 1998

19

New nonbonded interactions calculation strategy for rectangular systems. I. Preliminary molecular dynamics study of solvated Na+ ion

V. Ledauphin, G. Vergoten

Journal:

Year:

2000

Language:

english

File:

PDF, 233 KB

english, 2000

20

Ab initio Hartree–Fock/6-31G** calculation on 9-β-D-arabinofuranosyladenine-5′-monophosphate molecule: Application to the analysis of its IR and Raman spectra

Belén Hernández, Raquel Navarro, Antonio Hernanz, Gérard Vergoten

Journal:

Year:

2002

Language:

english

File:

PDF, 348 KB

english, 2002

21

Ab initio vibrational calculations on ara-T molecule: Application to analysis of IR and Raman spectra

Belén Hernández, Raquel Navarro, Gérard Vergoten, Antonio Hernanz

Journal:

Year:

2001

Language:

english

File:

PDF, 392 KB

english, 2001

22

Raman spectra and normal vibrations of dipeptides. I. Glycylglycine

P. Lagant, G. Vergoten, M. H. Loucheux-Lefebvre, G. Fleury

Journal:

Year:

1983

Language:

english

File:

PDF, 551 KB

english, 1983

23

Raman spectra and normal vibrations of dipeptides. II. Glycyl-L-proline

P. Lagant, M. H. Loucheux-Lefebvre, J. P. Huvenne, G. Vergoten, G. Fleury, P. Legrand

Journal:

Year:

1983

Language:

english

File:

PDF, 564 KB

english, 1983

24

ChemInform Abstract: Synthesis of 1H-1,2,4-Triazolo[5,1-a]isoindoles by Intramolecular Condensation of 4-Substituted 1,2,4-Triazol-1-ium 4-Substituted Benzoyl 2,4,6-Trinitrophenylmethylides.

Georgiana G. Surpateanu, Gerard Vergoten, Abdelaziz Elass, Gheorghe Surpateanu

Journal:

Year:

1999

File:

PDF, 30 KB

1999

25

Development of the force field parameters for phosphoimidazole and phosphohistidine

Yuri A. Kosinsky, Pavel E. Volynsky, Philippe Lagant, Gerard Vergoten, Ei-Ichiro Suzuki, Alexander S. Arseniev, Roman G. Efremov

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 164 KB

english, 2004

26

A vibrational molecular force field of model compounds with biological interest. I. Harmonic dynamics of crystalline urea at 123 K

Philippe Derreumaux, Gérard Vergoten, Philippe Lagant

Journal:

Journal of Computational Chemistry

Year:

1990

Language:

english

File:

PDF, 736 KB

english, 1990

27

The use of ultraviolet resonance Raman intensities to test proposed molecular force fields for nucleic acid bases

Philippe Lagant, Philippe Derreumaux, Gerard Vergoten, Warner Peticolas

Journal:

Journal of Computational Chemistry

Year:

1991

Language:

english

File:

PDF, 1.02 MB

english, 1991

28

Vibrational molecular force field of model compounds with biologic interest. II. Harmonic dynamics of both anomers of glucose in the crystalline state

Manuel Dauchez, Philippe Derreumaux, Gérard Vergoten

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 1.22 MB

english, 1993

29

A vibrational molecular force field of model compounds with biological interest. IV. Parameters for the different glycosidic linkages of oligosaccharides

Manuel Dauchez, Philippe Derreumaux, Philippe Lagant, Gérard Vergoten

Journal:

Journal of Computational Chemistry

Year:

1995

Language:

english

File:

PDF, 948 KB

english, 1995

30

Spectres de Vibration et Structure de l'Octamethylcyclotetrasilazane [(CH3)2SiNH]4 dans les Etats Gazeux, Liquide et Cristallin

M. Imbenotte, G. Palavit, Ep. Legrand, J. P. Huvenne, Et G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1977

File:

PDF, 355 KB

1977

31

Lattice vibrations of crystalline diazepam (Valium)

J. Dumetz, G. Vergoten, J. P. Huvenne, G. Fleury

Journal:

Journal of Raman Spectroscopy

Year:

1981

Language:

english

File:

PDF, 259 KB

english, 1981

32

Overall and lattice vibrations of fatty acids. 1—C form of stearic acid

G. Vergoten, G. Fleury

Journal:

Journal of Raman Spectroscopy

Year:

1982

Language:

english

File:

PDF, 343 KB

english, 1982

33

Spectre de Vibration et Vibrations Normales de I'Acide Pivalique

W. Longueville, H. Fontaine, G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1982

File:

PDF, 703 KB

1982

34

Lattice vibrations of crystalline l-cocaine hydrochloride

G. Vergoten, G. Fleury, A. P. Gamot

Journal:

Journal of Raman Spectroscopy

Year:

1983

Language:

english

File:

PDF, 220 KB

english, 1983

35

Raman spectroscopic evidence for β-turn conformation

P. Lagant, G. Vergoten, G. Fleury, M. H. Loucheux-Lefebvre

Journal:

Journal of Raman Spectroscopy

Year:

1984

Language:

english

File:

PDF, 186 KB

english, 1984

36

Structure Moléculaire des Dérivés Nitres Aromatiques 5–Spectres de Vibration et Analyse par Coordonnées Normales du 1,3,5-Triamino-2,4,6-trinitrobenzène

G. Vergoten, G. Fleury, M. Blain, S. Odiot

Journal:

Journal of Raman Spectroscopy

Year:

1985

File:

PDF, 371 KB

1985

37

Programme d'Identification Moléculaire Informatisée à Partir de Spectres Raman. Exemples d'Inclusions Fluides dans les Minéraux

A. Benosman, G. Vergoten, Y. Moschetto, G. Fleury

Journal:

Journal of Raman Spectroscopy

Year:

1987

File:

PDF, 403 KB

1987

38

Normal modes calculation for benzene in a local symmetry force field

F. Hamdache, G. Vergoten, P. Lagant, A. Benosman

Journal:

Journal of Raman Spectroscopy

Year:

1989

Language:

english

File:

PDF, 269 KB

english, 1989

39

Normal-coordinate treatment of a nucleic base pair model in its crystalline state: 1-Methylcytosine–9-ethylguanine

P. Lagant, G. Vergoten, P. Derreumaux, R. Dhennin

Journal:

Journal of Raman Spectroscopy

Year:

1990

Language:

english

File:

PDF, 766 KB

english, 1990

40

Vibrational spectra of indole and assignments on the basis of ab initio force fields

M. Majoube, G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1992

Language:

english

File:

PDF, 1.30 MB

english, 1992

41

Normal coordinate treatment of Leu5-enkephalin in the crystal state

P. Lagant, G. Vergoten, S. Shi, G. Zeng, A. Aubry, J. Laureyns

Journal:

Journal of Raman Spectroscopy

Year:

1993

Language:

english

File:

PDF, 692 KB

english, 1993

42

Vibrational spectra for purine and its 15N- and D-substituted analogues. Assignment of normal modes from ab initio 3–21G force fields

M. Majoube, M. Henry, G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1994

Language:

english

File:

PDF, 1010 KB

english, 1994

43

Resonance Raman enhancement for adenine and guanine residues

M. Majoube, Ph. Millié, P. Lagant, G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1994

Language:

english

File:

PDF, 1.53 MB

english, 1994

44

Vibrational molecular force field of model compounds with biological interest VI—harmonic dynamic of methyl α-D-mannoside in the crystalline state

I. Kouach-Alix, M. Dauchez, M. Sekkal, G. Vergoten

Journal:

Journal of Raman Spectroscopy

Year:

1995

Language:

english

File:

PDF, 628 KB

english, 1995

45

Low-frequency intramolecular and lattice vibrations of n-C36H74 as studied by Raman scattering

G. Vergoten, G. Fleury, M. Tasumi, T. Shimanouchi

Journal:

Chemical Physics Letters

Year:

1973

Language:

english

File:

PDF, 337 KB

english, 1973

46

Low-frequency Raman-active vibrations of triclinic n-paraffins

H. Takeuchi, T. Shimanouchi, M. Tasumi, G. Vergoten, G. Fleury

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 522 KB

english, 1974

47

Transition dipole—dipole coupling interactions in the B form of stearic acid single crystals

C. Vergoten, G. Fleury

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 240 KB

english, 1984

48

Vibrational spectroscopy of liquid crystals: 2. Normal coordinate analysis of benzaniline: basis structure for some liquid crystals

Gerard Vergoten, Guy Fleury

Journal:

Journal of Molecular Structure

Year:

1976

Language:

english

File:

PDF, 821 KB

english, 1976

49

Champ de forces de symetrie locale de molecules cycliques: Partie I. L'hexachlorocyclotriphosphazène (NPCl2)3

Jean-Pierre Huvenne, Gérard Vergoten, Pierre Legrand

Journal:

Journal of Molecular Structure

Year:

1980

File:

PDF, 686 KB

1980

50

Champ de forces de symetrie locale de molecules cycliques: III. Interprétation des spectres de vibration du glucose cristallisé sous les deux formes α et β

J.P. Huvenne, G. Vergoten, G. Fleury, P. Legrand

Journal:

Journal of Molecular Structure

Year:

1981

File:

PDF, 1.04 MB

1981

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