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The kinetics features of a thermal spin transition characterized by optical microscopy on the example of [Fe(bbtr)3](ClO4)2 single crystals: Size effect and mechanical instability Chong, Christian; Slimani, Ahmed; Varret, François; Boukheddaden, Kamel; ... Hauser, Andreas 2011
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Ultrafast excited-state dynamics of aminoperylene and of its protonated form observed by femtosecond absorption spectroscopy Mohammed, Omar F.; Vauthey, Eric 2010
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Analysing the chromium-chromium multiple bond using multiconfigurational quantum chemistry Brynda, Marcin; Gagliardi, Laura; Roos, Björn O. 2009
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Entropic effects in excited state CT reactions Pigliucci, Anatolio; Vauthey, Eric; Rettig, W. 2009
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Spin transition and relaxation dynamics coupled to a crystallographic phase transition in a polymeric iron(II) spin-crossover system Krivokapic, Itana; Enachescu, Cristian; Bronisz, Robert; Hauser, Andreas 2008
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[M(CO)4PPh3]·- radicals (M = Cr, Mo, W): DFT and single crystal EPR investigations Berclaz, Théo; Ndiaye, Bassirou; Bhat, Shrinivasa; Jouaiti, Abdelaziz; Geoffroy, Michel 2007
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Correctly validating results from single molecule data: The case of stretched exponential decay in the catalytic activity of single lipase B molecules Flomenbom, Ophir; Hofkens, Johan; Velonia, Kelly; de Schryver, Frans C.; ... Silbey, Robert J. 2006
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Oxidation products of iminophosphorane and bis-iminophosphorane: An EPR study Matni, Adil; Boubekeur, Leila; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel 2005
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Application of the density functional theory derived orbital-free embedding potential to calculate the splitting energies of lanthanide cations inchloroelpasolite crystals Zbiri, Mohamed; Atanasov, Mihail; Daul, Claude; Garcia-Lastra, Juan Maria; Wesolowski, Tomasz Adam 2004
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The effect of excitation pulse carrier frequency on ultrafast charge recombination dynamics of excited donor-acceptor complexes Ivanov, A.I.; Belikeev, F.N.; Fedunov, Roman G.; Vauthey, Eric 2003
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Tuning the ion formation processes from triplet-triplet annihilation to triplet-mediated photoionization Jacques, P.; Allonas, X.; Sarbach, A.; Haselbach, E.; Vauthey, Eric 2003
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Lifetimes of partial charge transfer exciplexes of 9-cyanophenanthrene and 9-cyanoanthracene Dolotova, Elena; Dogadkin, Denis; Soboleva, Irina; Kuzmin, Michael; ... Vauthey, Eric 2003
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29Si NMR chemical shifts of silane derivatives Corminboeuf, Anne-Clémence; Heine, Thomas; Weber, Jacques 2002
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Introduction of the explicit long-range nonlocality as an alternative to the gradient expansion approximation for the kinetic-energy functional Tran, Fabien; Wesolowski, Tomasz Adam 2002
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Dynamics of carbon clusters: chemical equilibration of rings and bi-cyclic rings Heine, Thomas; Zerbetto, Francesco 2002
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13C NMR patterns of C36H2x fullerene hydrides Corminboeuf, Anne-Clémence; Fowler, Patrick W.; Heine, Thomas 2002
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Spin-orbit coupling within a two-component density functional theory approach: theory, implementation and first applications Gagliardi, Laura; Schimmelpfennig, Bernd; Maron, Laurent; Wahlgren, Ulf; Willetts, Andrew 2001
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Intramolecular motion in dibenzobarrelenephosphinyl radical: A single crystal EPR study at variable temperature Brynda, Marcin; Berclaz, Théo; Geoffroy, Michel 2000
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Theoretical analysis of the vanadyl pyrophosphate (VO)2P2O7 31P NMR spectra Lawson Daku, Latevi Max; Borshch, S. A.; Robert, V.; Bigot, B. 2000
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Uranium triatomic compounds XUY (X,Y=C,N,O): a combined multiconfigurational second-order perturbation and density functional study Gagliardi, Laura; Roos, Björn O. 2000
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