화학공학소재연구정보센터
검색결과 : 16건
No. Article
1 Anharmonic Vibrational Treatment Exclusively in Coordinates: The Case of Formamide Curvilinear Valence
Richter F, Thaunay F, Lauvergnat D, Carbonniere P
Journal of Physical Chemistry A, 119(48), 11719, 2015
2 Monitoring the Birth of an Electronic Wavepacket in a Molecule with Attosecond Time-Resolved Photoelectron Spectroscopy
Perveaux A, Lauvergnat D, Gatti F, Halasz GJ, Vibok A, Lasorne B
Journal of Physical Chemistry A, 118(38), 8773, 2014
3 Quantum dynamics around a non planar conical intersection in vinoxy radical relaxation
Piechowska-Strumik K, Lauvergnat D, Bacchus-Montabonel MC, Desouter-Lecomte M
Chemical Physics Letters, 425(1-3), 16, 2006
4 Quantum study of the internal rotation of methanol in full dimensionality (1+11D): a harmonic adiabatic approximation
Blasco S, Lauvergnat D
Chemical Physics Letters, 373(3-4), 344, 2003
5 Wave packet dynamics along bifurcating reaction paths
Lasorne B, Dive G, Lauvergnat D, Desouter-Lecomte M
Journal of Chemical Physics, 118(13), 5831, 2003
6 Exact numerical computation of a kinetic energy operator in curvilinear coordinates
Lauvergnat D, Nauts A
Journal of Chemical Physics, 116(19), 8560, 2002
7 Cumulative reaction probability by constrained dynamics: H transfer in HCN, H2CO, and H3CO
Baloitcha E, Lasorne B, Lauvergnat D, Dive G, Justum Y, Desouter-Lecomte M
Journal of Chemical Physics, 117(2), 727, 2002
8 Valence bond curve-crossing model of the 1,2-hydrogen shift in HCN and isovalent systems
Lauvergnat D, Simon A, Maitre P
Chemical Physics Letters, 350(3-4), 345, 2001
9 A harmonic adiabatic approximation to calculate highly excited vibrational levels of "floppy molecules"
Lauvergnat D, Nauts A, Justum Y, Chapuisat X
Journal of Chemical Physics, 114(15), 6592, 2001
10 Symmetry-breaking and near-symmetry-breaking in three-electron-bonded radical cations
Braida B, Lauvergnat D, Hiberty PC
Journal of Chemical Physics, 115(1), 90, 2001