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Etienne GINDENSPERGER - Publications


Orcid: https://orcid.org/0000-0002-0720-5792

Google Scholar: https://scholar.google.fr/citations?user=TwTVv9cAAAAJ


42. Excited-state dynamics of [Mn(im)(CO)3(phen)]+: PhotoCORM, catalyst, luminescent probe?
M. Fumanal, C. Daniel and E. Gindensperger
J. Chem. Phys. 154, 154102 (2021)

41. Vibrational coherence and quantum yield of retinal-chromophore-inspired molecular switches
M. Gueye, M. Paolino, E. Gindensperger, S. Haacke, M. Olivucci and J. Léonard
Faraday Discuss. 221, 299-321 (2020)

40. Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes
F. Plasser, S. Mai, M. Fumanal, E. Gindensperger, C. Daniel, L. Gonzalez
J. Chem. Theory Comput. 15, 5031-5045 (2019)

39. Excited State Reactivity of [Mn(im)(CO)3(phen)]+: a Structural Exploration
M. Fumanal,Y. Harabuchi, E. Gindensperger, S. Maeda and C. Daniel
J. Comput. Chem. 40, 72-81 (2019)

38. Ultrafast Intersystem Crossing vs. Internal Conversion in α-diimine Transition Metal Complexes: Quantum Evidence
M. Fumanal, E. Gindensperger and C. Daniel
J. Phys. Chem. Lett. 9, 5189-5195 (2018)

37. Spin-Vibronic Mechanism for Intersystem Crossing
T.J. Penfold, E. Gindensperger, C. Daniel and C.M. Marian
Chem. Rev. 118, 6975-7025 (2018)

36. Interstate vibronic coupling constants between electronic excited states for complex molecules
M. Fumanal, F. Plasser, S. Mai, C. Daniel and E. Gindensperger
J. Chem. Phys. 148, 124119 (2018)

35. Ligand substitution and conformational effects on the ultrafast luminescent decay of [Re(CO)3(phen)(L)]+(L= imidazole, pyridine): non-adiabatic quantum dynamics
M. Fumanal, E. Gindensperger and C. Daniel
Phys. Chem. Chem. Phys. 20, 1134-1141 (2018)

34. Ultrafast Excited-State Decays in [Re(CO)3(N, N)(L)]n+: Nonadiabatic Quantum Dynamics
M. Fumanal, E. Gindensperger and C. Daniel
J. Chem. Theory Comput. 13, 1293-1306 (2017) & J. Chem. Theory Comput. 13, 3952-3953 (2017)

33. Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium (I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin–Vibronic Quantum Dynamics
Y. Harabuchi, J. Eng, E. Gindensperger, T. Taketsugu, S. Maeda and C. Daniel
J. Chem. Theory Comput. 12, 2335-2345 (2016)

32. On the Directionality of Double Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center
G. Marchand, J. Eng, I. Schapiro, A. Valentini, L. M. Frutos, E. Pieri, M. Olivucci, J. Léonard and E. Gindensperger
J. Phys. Chem. Lett. 6, 599-604 (2015)

31. Spin-Vibronic Quantum Dynamics for Ultrafast Excited-State Processes
J. Eng, C. Gourlaouen, E. Gindensperger and C. Daniel
Account Chem. Res. 48, 809-817 (2015)

30. Intramolecular Nuclear Flux Densities
I. Barth, C. Daniel, E. Gindensperger, J. Manz, J. F. Pérez-Torres, A. Schild, C. Stemmle, D. Sulzer and Y. Yang
In Advances in Multi-Photon Processes and Spectroscopy, S. H. Lin, A. A. Villaeys, Y. Fujimura, Eds. Vol. 22, 59-109 (2015)

29. Ultrafast Photoisomerization of Chiral Biomimetic Molecular Switches
M. Gueye, S. Haacke, S. Fusi, M. Olivucci, E. Gindensperger and J. Léonard
In Ultrafast Phenomena XIX , Springer Proceedings in Physics Vol. 162, 517-520 (2014)

28. Quantum Chemical Interpretation of Ultrafast Luminescence Decay and Intersystem Crossings in Rhenium(I) Carbonyl Bipyridine Complexes
C. Gourlaouen, J. Eng, M. Otsuka, E. Gindensperger and C. Daniel
J. Chem. Theory Comput. 11, 99-110 (2014)

27. Spectroscopic trends in a series of Re(I) α-diimine complexes as a function of the antenna/photoisomerizable ligands: a TD-DFT and MS-CASPT2 study
M. Kayanuma, C. Daniel and E. Gindensperger
Can. J. Chem. 92, 979-986 (2014)

26. Spin-Orbit Treatment of UV-Vis Absorption Spectra and Photophysics of Rhenium(I) Carbonyl-Bipyridine Complexes: MS-CASPT2 and TD-DFT Analysis
R. Heydova, E. Gindensperger, R. Romano, J. Sykora, A. Vlcek, S. Zalis and C. Daniel
J. Phys. Chem. A 116, 11319 (2012)

25. Efficient computation of adiabatic electronic populations in multi-mode vibronic systems: Theory, implementation and application
B. Nikoobakht, H. Köppel, E. Gindensperger and L.S. Cederbaum
J. Chem. Phys. 137, 114110 (2012)

24. Inorganic Photoisomerization: the case study of Rhenium(I) complexes
M. Kayanuma, E. Gindensperger and C. Daniel
Dalton Trans. 41, 13191 (2012)

23. Quantum Dynamics through Conical Intersections: Combining Effective Modes and Quadratic Couplings
A. Vibók, A. Csehi, E. Gindensperger, H. Köppel and G.J. Halász
J. Phys. Chem. A. 116, 2629 (2012)

22. Efficient computation of adiabatic populations in multi-mode Jahn-Teller systems through the use of effective vibrational mode
B. Nikoobakht, H. Köppel, E. Gindensperger and L.S. Cederbaum
J. Chem. Phys. 135, 174110 (2011)

21. Short-Time Dynamics Through Conical Intersections in Macrosystems: Quadratic Coupling Extension
G.J. Halász, A. Papp, E. Gindensperger, H. Köppel and A. Vibók
Advances in the Theory of Quantum Systems in Chemistry and Physics, Series: Progress in Theoretical Chemistry and Physics 22, 285 (Springer, 2011)

20. Photophyics of isomerizable Re(I) complexes: A theorethical analysis
M. Kayanuma, H. Köppel, C. Daniel and E. Gindensperger
Coord. Chem. Rev. 255, 2693 (2011)

19. Conical intersections coupled to an environment
I. Burghardt, K.H. Hughes, H. Tamura, E. Gindensperger, H. Köppel and L.S. Cederbaum
In Conical Intersections: Theory, Computation and Experiment, H. Köppel, D. R. Yarkony and W. Domcke, Eds. (Advanced Series in Physical Chemistry - Vol. 17, World Scientific, Singapore , 2011), 301

18. Mechanism of visible-light photoisomerization of a rhenium(I) carbonyl-diimine complex
E. Gindensperger, H. Köppel and C. Daniel
Chem. Commun. 46, 8225 (2010)

17. Ab initio study of the electronic singlet excited-state properties of tryptophan in the gas phase: The role of alanyl side-chain conformations
E. Gindensperger, A. Haegy, C. Daniel and R. Marquardt
Chem. Phys. 374, 104 (2010)

16. Multi-Mode Jahn-Teller and Pseudo-Jahn-Teller Effects in Benzenoid Cations
S. Faraji, E. Gindensperger and H. Köppel
In The Jahn-Teller Effect: Fundamentals and Implications for Physics and Chemistry, H. Köppel, D. R. Yarkony and H. Barentzen, Eds. (Heidelberg, Springer, Series in Chemical Physics, Vol. 97, XXI, (2010)) 239-276

15. Multidimensional Non-Adiabatic Dynamics
G. A. Worth, H Köppel, E. Gindensperger and L. S. Cederbaum
In Multidimensional Quantum Dynamics, H.-D. Meyer, F. Gatti and G. A. Worth, Eds. (Wiley-VCH, Weinheim, 2009)

14. Quantum dynamics through conical intersections in macrosystems: Combining effective modes and time-dependent Hartree
M. Basler, E. Gindensperger, H.-D. Meyer and L. S. Cederbaum
Chem. Phys. 347, 78 (2008)

13. Quantum dynamics in macrosystems with several coupled electronic states: Hierarchy of effective Hamiltonians
E. Gindensperger and L. S. Cederbaum
J. Chem. Phys. 127, 124107 (2007)

12. Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
E. Gindensperger, I. Bâldea, J. Franz and H. Köppel
Chem. Phys. 338, 207 (2007)

11. Hierarchy of effective modes for the dynamics through conical intersections in macrosystems
E. Gindensperger, H. Köppel and L. S. Cederbaum
J. Chem. Phys. 126, 034107 (2007)

10. Ultrafast excited-state dynamics at a conical intersection: the role of environmental effects
I. Burghardt, J. T. Hynes, E. Gindensperger and L. S. Cederbaum
Phys. Scr. 73, C42 (2006)

9. Short-time dynamics through conical intersections in macrosystems. II. Applications
E. Gindensperger, I. Burghardt and L. S. Cederbaum
J. Chem. Phys. 124, 144104 (2006).

8. Short-time dynamics through conical intersections in macrosystems. I. Theory: Effective-mode formulation
E. Gindensperger, I. Burghardt and L. S. Cederbaum
J. Chem. Phys. 124, 144103 (2006)

7. An effective Hamiltonian for the short-time dynamics at a conical intersection
I. Burghardt, E. Gindensperger and L. S. Cederbaum
Mol. Phys., 104, 1081 (2006)

6. Short-time dynamics through conical intersections in macrosystems
L. S. Cederbaum, E. Gindensperger and I. Burghardt
Phys. Rev. Lett. 94, 113003 (2005)

5. Combining fixed- and moving-grid methods to study direct dissociation processes involving nonadiabatic transitions
E. Gindensperger, C. Meier, J. A. Beswick and G. Parlant
J. Chem. Phys. 123, 214107 (2005)

4. Hybrid Quantum/Classical dynamics using Bohmian trajectories
E. Gindensperger, C. Meier and J. A. Beswick
Adv. Quantum Chem. 47, 399 (2004)

3. Quantum-classical description of rotational diffractive scattering using Bohmian trajectories: Comparison with full quantum wave packet
E. Gindensperger, C. Meier, J. A. Beswick and M.-C. Heitz
J. Chem. Phys. 116, 10051 (2002).

2. Quantum-classical dynamics including continuum states using quantum trajectories
E. Gindensperger, C. Meier and J. A. Beswick
J. Chem. Phys. 116, 8 (2002).

1. Mixing quantum and classical dynamics using Bohmian trajectories
E. Gindensperger, C. Meier and J. A. Beswick
J. Chem. Phys. 113, 9369 (2000).

 
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