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1

Quantum and quantum-classical studies of the photoisomerization of a retinal chromophore model

Marsili, Emanuele, Olivucci, Massimo, Lauvergnat, David, Agostini, Federica

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 748 KB

2020

2

Individu et cosmos dans la philosophie de la Renaissance, De la pensée, Le sageby Ernst Cassirer; Pierre Quillet; Nicolas De Cues; Maurice de Gandillac; Charles de Bovelles

Review by: C. Lauvergnat-Gagnière

Journal:

Bibliothèque d'Humanisme et Renaissance

Year:

1988

Language:

english

File:

PDF, 547 KB

english, 1988

3

Charge-Shift Bonding—A Class of Electron-Pair Bonds That Emerges from Valence Bond Theory and Is Supported by the Electron Localization Function Approach

Sason Shaik, David Danovich, Bernard Silvi, David L. Lauvergnat, Philippe C. Hiberty

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 244 KB

english, 2005

4

Quantum dynamics with sparse grids: A combination of Smolyak scheme and cubature. Application to methanol in full dimensionality

Lauvergnat, David, Nauts, André

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 557 KB

english, 2014

5

Torsional energy levels of nitric acid in reduced and full dimensionality with ElVibRot and Tnum

Lauvergnat, David, Nauts, André

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.30 MB

english, 2010

6

Valence Bond Analysis of the Lone Pair Bond Weakening Effect for the X−H Bonds in the Series XH n = CH 4 , NH 3 , OH 2 , FH

Lauvergnat, David, Maître, Philippe, Hiberty, Philippe C., Volatron, François

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 362 KB

english, 1996

7

Actes du colloque international Érasme (Tours 1986)by Jacques Chomarat; André Godin; Jean-Claude Margolin

Review by: C. Lauvergnat-Gagnière

Journal:

Revue d'histoire littéraire de la France

Year:

1992

Language:

french

File:

PDF, 385 KB

french, 1992

8

Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets

Felker, Peter M., Lauvergnat, David, Scribano, Yohann, Benoit, David M., Bačić, Zlatko

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.85 MB

english, 2019

9

Spin-Orbit Interactions in Ultrafast Molecular Processes

Talotta, Francesco, Morisset, Sabine, Rougeau, Nathalie, Lauvergnat, David, Agostini, Federica

Journal:

Physical Review Letters

Year:

2020

Language:

english

File:

PDF, 534 KB

english, 2020

10

A harmonic adiabatic approximation to calculate vibrational states of ammonia

David Lauvergnat, André Nauts

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 255 KB

english, 2004

11

Dynamics of complex molecular systems with numerical kinetic energy operators in generalized coordinates

David Lauvergnat, Ezinvi Baloïtcha, Georges Dive, Michèle Desouter-Lecomte

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 368 KB

english, 2006

12

Quantum dynamics around a non planar conical intersection in vinoxy radical relaxation

K. Piechowska-Strumik, D. Lauvergnat, M.-C. Bacchus-Montabonel, M. Desouter-Lecomte

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 301 KB

english, 2006

13

New assignments in the torsional spectrum of

D. Lauvergnat, L.H. Coudert, S. Klee, M. Smirnov

Journal:

Journal of Molecular Spectroscopy

Year:

2009

Language:

english

File:

PDF, 1005 KB

english, 2009

14

Laser control in open molecular systems: STIRAP and Optimal Control

D. Sugny, M. Ndong, D. Lauvergnat, Y. Justum, M. Desouter-Lecomte

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2007

Language:

english

File:

PDF, 1.18 MB

english, 2007

15

Valence bond curve-crossing model of the 1,2-hydrogen shift in HCN and isovalent systems

David Lauvergnat, Aude Simon, Philippe Maı̂tre

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 187 KB

english, 2001

16

Quantum study of the internal rotation of methanol in full dimensionality (1+11D): a harmonic adiabatic approximation

Sophie Blasco, David Lauvergnat

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 244 KB

english, 2003

17

One-dimensional quantum description of the bending vibrations of HCN/CNH for high values of the total angular momentum

Yves Justum, Fabien Gatti, David Lauvergnat, André Nauts, Xavier Chapuisat

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2002

Language:

english

File:

PDF, 234 KB

english, 2002

18

Radiative lifetime of vibrationally excited N2H+ and N2D+ molecular ions

M Heninger, D Lauvergnat, J Lemaire, P Boissel, G Mauclaire, R Marx

Journal:

International Journal of Mass Spectrometry

Year:

2003

Language:

english

File:

PDF, 198 KB

english, 2003

19

Photoinduced nonadiabatic dynamics of ethene: Six-dimensional wave packet propagations using two different approximations of the kinetic energy operator

Michael R. Brill, Fabien Gatti, David Lauvergnat, Hans-Dieter Meyer

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 338 KB

english, 2007

20

Ab initio calculation of H+He^{+} charge-transfer cross sections for plasma physics

Loreau, J., Sodoga, K., Lauvergnat, D., Desouter-Lecomte, M., Vaeck, N.

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 485 KB

english, 2010

21

The non-linear tendencies in homonuclear X-X bonds (X = Li to F) and the lone-pair bond weakening effect. An ab initio theoretical analysis

David Lauvergnat, Philippe C. Hiberty

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 765 KB

english, 1995

22

Wave packet propagation for constrained molecular systems: spectroscopic applications to triatomic molecules

D. Lauvergnat, Y. Justum, M. Desouter-Lecomte, X. Chapuisat

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 1.23 MB

english, 2002

23

Improving anharmonic infrared spectra using semiclassically prepared molecular dynamics simulations

Van-Oanh, Nguyen-Thi, Falvo, Cyril, Calvo, Florent, Lauvergnat, David, Basire, Marie, Gaigeot, Marie-Pierre, Parneix, Pascal

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 3.20 MB

english, 2012

24

A generalised 17-state vibronic-coupling Hamiltonian model for ethylene

Jornet-Somoza, Joaquim, Lasorne, Benjamin, Robb, Michael A., Meyer, Hans-Dieter, Lauvergnat, David, Gatti, Fabien

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.11 MB

english, 2012

25

Explicitly correlated treatment of H2NSi and H2SiN radicals: Electronic structure calculations and rovibrational spectra

Lauvergnat, D., Senent, M. L., Jutier, L., Hochlaf, M.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.02 MB

english, 2011

26

Vertical transition energies vs. absorption maxima: Illustration with the UV absorption spectrum of ethylene

Lasorne, Benjamin, Jornet-Somoza, Joaquim, Meyer, Hans-Dieter, Lauvergnat, David, Robb, Michael A., Gatti, Fabien

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 684 KB

english, 2014

27

Role of Conjugation in the Stabilities and Rotational Barriers of Formamide and Thioformamide. An ab Initio Valence-Bond Study

Lauvergnat, David, Hiberty, Philippe C.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 182 KB

english, 1997

28

Vibrational computing: Simulation of a full adder by optimal control

Bomble, L., Lauvergnat, D., Remacle, F., Desouter-Lecomte, M.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 918 KB

english, 2008

29

« LE FAICT DES MASQUES »

C. Lauvergnat-Gagnière

Journal:

Bibliothèque d'Humanisme et Renaissance

Year:

1968

Language:

french

File:

PDF, 980 KB

french, 1968

30

10.2307/20674908

Review by: C. Lauvergnat-Gagnière

Journal:

Bibliothèque d'Humanisme et Renaissance

Year:

1971

File:

PDF, 386 KB

1971

31

Le Raccolte francesi di favole esopiane dal 1480 alla fine del Secolo XVI, (Ce volume est le cinquième de la collection «Textes et études — Domaine français»)by Gianni Mombello; L. Sozzi; L. Terreaux

Review by: Christiane Lauvergnat-Gagnière

Journal:

Bibliothèque d'Humanisme et Renaissance

Year:

1984

Language:

english

File:

PDF, 421 KB

english, 1984

32

La fede nella «paideia». Aspetti della fortuna europea di Isocrate nei secoli XV e XVI, (Studi storici, Fasc. 140-142)by Lucia Gualdo Rosa

Review by: C. Lauvergnat-Gagnière

Journal:

Bibliothèque d'Humanisme et Renaissance

Year:

1986

File:

PDF, 435 KB

1986

33

The world view of Béroalde de Verville (expressed through satirical baroque style in « Le moyen de parvenir »)by J. L. Pallister

Review by: G. Lauvergnat-Gagnière

Journal:

Bibliothèque d'Humanisme et Renaissance

Year:

1972

Language:

french

File:

PDF, 279 KB

french, 1972

34

The uses of Greek and Latin. Historical essaysby A.C. Dionisotti; A. Grafton; J. Kraye

Review by: G. Lauvergnat-Gagnière

Journal:

Bibliothèque d'Humanisme et Renaissance

Year:

1991

File:

PDF, 428 KB

1991

35

Graecogermania, Herzog August Bibliothek Wolfenbüttel

Review by: C. Lauvergnat-Gagnière

Journal:

Bibliothèque d'Humanisme et Renaissance

Year:

1991

File:

PDF, 323 KB

1991

36

A Full Dimensionality Approach to Evaluate the Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Tunneling Motions

Garcia-Borràs, Marc, Solà, Miquel, Lauvergnat, David, Reis, Heribert, Luis, Josep M., Kirtman, Bernard

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 2.30 MB

english, 2013

37

Monitoring the Birth of an Electronic Wavepacket in a Molecule with Attosecond Time-Resolved Photoelectron Spectroscopy

Perveaux, Aurelie, Lauvergnat, David, Gatti, Fabien, Halász, Gábor J., Vibók, Ágnes, Lasorne, Benjamin

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 439 KB

english, 2014

38

Orbital Control of the Thermal Dissociation of X2N-NX2 Molecules (X = NH2, SH) into Conjugated NX2 .pi.-Radicals

Lauvergnat, David, Jean, Yves

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 1015 KB

english, 1995

39

Effect of the overall rotation on the cis–trans isomerization of HONO induced by an external field

Sala, Matthieu, Gatti, Fabien, Lauvergnat, David, Meyer, Hans-Dieter

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

40

Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach

Sadri, Keyvan, Lauvergnat, David, Gatti, Fabien, Meyer, Hans-Dieter

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 575 KB

english, 2014

41

Controlled full adder–subtractor by vibrational computing

Bomble, Laëtitia, Lauvergnat, David, Remacle, Françoise, Desouter-Lecomte, Michèle

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.41 MB

english, 2010

42

Exactly solvable potentials for some triatomic molecular systems

Hounkonnou, M N, Sodoga, K, Justum, Y, Lauvergnat, D

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2004

Language:

english

File:

PDF, 161 KB

english, 2004

43

A generalised vibronic-coupling Hamiltonian model for benzopyran

Joubert-Doriol, Loïc, Lasorne, Benjamin, Lauvergnat, David, Meyer, Hans-Dieter, Gatti, Fabien

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.74 MB

english, 2014

44

A harmonic adiabatic approximation to calculate highly excited vibrational levels of “floppy molecules”

Lauvergnat, David, Nauts, André, Justum, Yves, Chapuisat, Xavier

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 471 KB

english, 2001

45

Cumulative reaction probability by constrained dynamics: H transfer in HCN, H[sub 2]CO, and H[sub 3]CO

Baloı̈tcha, E., Lasorne, B., Lauvergnat, D., Dive, G., Justum, Y., Desouter-Lecomte, M.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 532 KB

english, 2002

46

Exact numerical computation of a kinetic energy operator in curvilinear coordinates

Lauvergnat, David, Nauts, André

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 540 KB

english, 2002

47

Controlled full adder or subtractor by vibrational quantum computing

Bomble, L., Lauvergnat, D., Remacle, F., Desouter-Lecomte, M.

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 771 KB

english, 2009

48

Reactive scattering of highly vibrationally excited oxygen molecules: Ozone formation?

Lauvergnat, David, Clary, David C.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 405 KB

english, 1998

49

Symmetry-breaking and near-symmetry-breaking in three-electron-bonded radical cations

Braı̈da, Benoı̂t, Lauvergnat, David, Hiberty, Philippe C.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 505 KB

english, 2001

50

Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state

Vendrell, Oriol, Gatti, Fabien, Lauvergnat, David, Meyer, Hans-Dieter

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 591 KB

english, 2007

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