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Chantal Daniel
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Deciphering the reaction dynamics underlying optimal control laser fields
C Daniel, J Full, L González, C Lupulescu, J Manz, A Merli, S Vajda, ...
Science 299 (5606), 536-539, 2003
4812003
Spin-Vibronic Mechanism for Intersystem Crossing
J Penfold, Thomas, E Gindensperger, C Daniel, CM Marian
Chemical Review 118 (15), 6975-7625, 2018
4622018
Nonlinear optical properties of organic solids: ab initio polarizability and hyperpolarizabilities of nitroaniline derivatives
C Daniel, M Dupuis
Chemical physics letters 171 (3), 209-216, 1990
1581990
Ab initio MO study of the full catalytic cycle of olefin hydrogenation by the Wilkinson catalyst RhCl (PR3) 3
C Daniel, N Koga, J Han, XY Fu, K Morokuma
Journal of the American Chemical Society 110 (12), 3773-3787, 1988
1421988
Photochemistry and Photophysics of transition metal complexes: Quantum Chemistry
C Daniel
Coordination Chemistry Reviews 282283, 19-32, 2015
1182015
Analysis and control of laser induced fragmentation processes in CpMn (CO) 3
C Daniel, J Full, L González, C Kaposta, M Krenz, C Lupulescu, J Manz, ...
Chemical Physics 267 (1-3), 247-260, 2001
1172001
Electronic spectroscopy and photoreactivity in transition metal complexes
C Daniel
Coordination Chemistry Reviews 238, 143-166, 2003
1082003
Theoretical aspects of the photochemistry of organometallics. 3. Potential energy curves for the photodissociation of pentacarbonyliron (Fe (CO) 5)
C Daniel, M Benard, A Dedieu, R Wiest, A Veillard
The Journal of Physical Chemistry 88 (21), 4805-4811, 1984
1071984
Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin–orbit calculations of [Re (imidazole)(CO) 3 (phen)]+
R Baková, M Chergui, C Daniel, A Vlček Jr, S Záliš
Coordination Chemistry Reviews 255 (7-8), 975-989, 2011
1062011
Density-functional methods for excited states
N Ferré, M Filatov, M Huix-Rotllant, C Adamo
Springer International Publishing 368, 487, 2016
982016
Quantitative wave function analysis for excited states of transition metal complexes
S Mai, F Plasser, J Dorn, M Fumanal, C Daniel, L Gonzalez
Coordination Chemistry Review 361, 74-97, 2018
942018
First application of the HETPHEN concept to new heteroleptic bis (diimine) copper (i) complexes as sensitizers in dye sensitized solar cells.
M Sandroni, M Kayanuma, A Planchat, N Szuwarski, E Blart, Y Pellegrin, ...
Dalton transactions (Cambridge, England: 2003) 42 (30), 10818-10827, 2013
922013
Spin-Vibronic Quantum Dynamics for Ultrafast Excited-State Processes
J Eng, C Gourlaouen, E Gindensperger, C Daniel
Account of Chemical Research 48 (3), 809-817, 2015
892015
UV−Visible Absorption Spectra of [Ru(E)(E‘)(CO)2(iPr-DAB)] (E = E‘ = SnPh3 or Cl; E = SnPh3 or Cl, E‘ = CH3; iPr-DAB = N,N‘-Di-isopropyl-1,4-diaza-1,3 …
M Turki, C Daniel, S Záliš, A Vlček, J van Slageren, DJ Stufkens
Journal of the American Chemical Society 123 (46), 11431-11440, 2001
892001
Spin–orbit treatment of UV–vis absorption spectra and photophysics of rhenium (I) carbonyl–bipyridine complexes: MS-CASPT2 and TD-DFT analysis
R Heydová, E Gindensperger, R Romano, J Sýkora, A Vlcek Jr, S Záliš, ...
The Journal of Physical Chemistry A 116 (46), 11319-11329, 2012
832012
Potential energy profile of a full catalytic cycle of olefin hydrogenation by the Wilkinson catalyst
N Koga, C Daniel, J Han, XY Fu, K Morokuma
Journal of the American Chemical Society 109 (11), 3455-3456, 1987
821987
Photo-induced redox catalysis for proton reduction to hydrogen with homogeneous molecular systems using rhodium-based catalysts
T Stoll, CE Castillo, M Kayanuma, C Daniel, F Odobel, A Deronzier, ...
Coordination Chemistry Reviews, 2015
792015
A theoretical study of Ru (II) polypyridyl DNA intercalators: structure and electronic absorption spectroscopy of [Ru (phen) 2 (dppz)] 2+ and [Ru (tap) 2 (dppz)] 2+ complexes …
D Ambrosek, PF Loos, X Assfeld, C Daniel
Journal of inorganic biochemistry 104 (9), 893-901, 2010
782010
Transition Metal and Rare Earth Compounds: Excited States, Transitions, Interactions III
H Yersin
77*2005
Spectroscopy of Ru (II) polypyridyl complexes used as intercalators in DNA: Towards a theoretical study of the light switch effect
M Atsumi, L González, C Daniel
Journal of Photochemistry and Photobiology A: Chemistry 190 (2-3), 310-320, 2007
672007
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