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 TitleAuthors / EditorsDate
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Redox behavior of the iron-sulfur cluster [Fe4Cp4S5][PF6]2 in protic organic solvents and aqueous micellar solutions Lawson Daku, Latevi Max; Jordanov, Jeanne 1994
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Paramagnetism of Tetranuclear Complexes between TCNX Ligands (TCNE, TCNQ, TCNB) and Four Pentaammineruthenium or Dicarbonyl(pentamethylcyclopentadienyl)manganese Fragments Waldhör, Eberhard; Kaim, Wolfgang; Lawson Daku, Latevi Max; Jordanov, Jeanne 1997
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Unusual Contact Shifts and Magnetic Tensor Orientation in Rhodobacter capsulatus Ferrocytochrome c': NMR, Magnetic Susceptibility, and EPR Studies Tsan, Pascale; Caffrey, Michael; Lawson Daku, Latevi Max; Cusanovich, Michael; ... Gans, Pierre 1999
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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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Magnetostructural correlations and spin model of (VO)2P2O7 Lawson Daku, Latevi Max; Borshch, Serguei; Robert, Vincent; Bigot, Bernard 2001
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Magnetic Susceptibility Tensor and Heme Contact Shifts Determinations in the Rhodobacter capsulatus Ferricytochrome c': NMR and Magnetic Susceptibility Studies Tsan, Pascale; Caffrey, Michael; Lawson Daku, Latevi Max; Cusanovich, Michael; ... Gans, Pierre 2001
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Investigation of the Reduced High-Potential Iron-Sulfur Protein from Chromatium vinosum and Relevant Model Compounds: A Unified Picture of the Electronic Structure of [Fe4S4]2+ Systems through Magnetic and Optical Studies Lawson Daku, Latevi Max; Pécaut, Jacques; Lenormand-Foucaut, Alix; Vieux-Melchior, Béatrice; ... Jordanov, Jeanne 2003
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Comparison of density functionals for energy and structural differences between the high- [5T2g: (t2g)4(eg)2] and low- [1A1g: (t2g)6(eg)0] spin states of the hexaquoferrous cation [Fe(H2O)6]2+ Fouqueau, Antony; Mer, Sébastien; Casida, Mark E.; Lawson Daku, Latevi Max; ... Neese, Frank 2004
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Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+ Fouqueau, Antony; Casida, Mark E.; Lawson Daku, Latevi Max; Hauser, Andreas; Neese, Frank 2005
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Reactivity of Copper(I) Complexes with Tripodal Ligands towards O2: Structures of a Precursor [L3CuI(NCCH3)](BF4), L3 = Tris(3-isopropyl-4,5-trimethylenepyrazolyl)methane and of its Oxidation Product [L3CuII(-OH)2CuIIL3](BF4)2 with Strong Antiferromagnetic Spin-Spin Coupling Kaim, Wolfgang; Titze, Christoph; Schurr, Thilo; Sieger, Monika; ... Manzur, Jorge 2005
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Assessment of Density Functionals for the High-Spin/Low-Spin Energy Difference in the Low-Spin Iron(II) Tris(2,2'-bipyridine) Complex Lawson Daku, Latevi Max; Vargas, Alfredo; Hauser, Andreas; Fouqueau, Antony; Casida, Mark Earl 2005
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Chiroptical and Computational Studies of a Bridled Chiroporphyrin and of Its Nickel(II), Copper(II), and Zinc(II) Complexes Maheut, Géraldine; Castaings, Anna; Pécaut, Jacques; Lawson Daku, Latevi Max; ... Marchon, Jean-Claude 2006
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Low-temperature lifetimes of metastable high-spin states in spin-crossover and in low-spin iron(II) compounds: The rule and exceptions to the rule Hauser, Andreas; Enachescu, Cristian; Lawson Daku, Latevi Max; Vargas, Alfredo; Amstutz, Nahid 2006
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Density-functional theory investigation of the geometric, energetic and optical properties of the cobalt(II)tris(2,2'-bipyridine) complex in the high-spin and in the Jahn-Teller active low-spin state Vargas, Alfredo; Zerara, Mohamed; Krausz, Elmars; Hauser, Andreas; Lawson Daku, Latevi Max 2006
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Ab initio calculations of external-field shifts of the 661-nm quadrupolar clock transition in neutral Ag atoms Topcu, Suat; Nasser, Jamil; Lawson Daku, Latevi Max; Fritzsche, Stephan 2006
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Photoswitching of the Dielectric Constant of the Spin-Crossover Complex [Fe(L)(CN)2]H2O Bonhommeau, Sébastien; Guillon, Thomas; Lawson Daku, Latevi Max; Demont, Philippe; ... Bousseksou, Azzedine 2006
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Spin-crossover in cobalt(II) imine complexes Krivokapic, Itana; Zerara, Mohamed; Lawson Daku, Latevi Max; Vargas, Alfredo; ... Hauser, Andreas 2007
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Investigation of the Influence of Solute-Solvent Interactions on the Vibrational Energy Relaxation Dynamics of Large Molecules in Liquids Pigliucci, Anatolio; Duvanel, Guillaume; Lawson Daku, Latevi Max; Vauthey, Eric 2007
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First-principles study of the pressure dependence of the structural and vibrational properties of the ternary metal hydride Ca2RuH6 Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf 2007
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Ab initio static and molecular dynamics study of 4-styrylpyridine: Structure, energy and reactivity of the cis and trans isomers in the ground state Lawson Daku, Latevi Max; Linares, Jorge; Boillot, Marie-Laure 2007
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3MLCT excited states in Ru(II) complexes: Reactivity and related two-photon absorption applications in the near-infrared spectral range Lemercier, Gilles; Bonne, Adeline; Four, Mickaël; Lawson Daku, Latevi Max 2008
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Spin-transition in nearly cubic site in [FeII(L)3][PF6]2 Mishra, Vibha; Mukherjee, Rabindranath; Linares, Jorge; Codjovi, Epiphane; ... Lawson Daku, Latevi Max 2009
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Density-Functional Theory Study of the Stereochemistry of Chloroiron(III) and Chloromanganese(III) Complexes of a Bridled Chiroporphyrin Lawson Daku, Latevi Max; Castaings, Anna; Marchon, Jean-Claude 2009
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Influence of Guest−Host Interactions on the Structural, Energetic, and Mössbauer Spectroscopy Properties of Iron(II)tris(2,2'-bipyridine) in the Low-Spin and High-Spin States: A Density-Functional Theory Study of the Zeolite-Y Embedded Complex Vargas, Alfredo; Hauser, Andreas; Lawson Daku, Latevi Max 2009
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Ionic layered BaFCl and Ba1−xSrxFCl compounds: Physical- and chemical-pressure effects D'Anna, Vincenza; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf; Kubel, Frank 2010
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Ab initio static and molecular dynamics study of the absorption spectra of the 4-styrylpyridine photoswitch in its cis and trans forms Lawson Daku, Latevi Max; Linares, Jorge; Boillot, Marie-Laure 2010
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Ab Initio Molecular Dynamics Study of an Aqueous Solution of [Fe(bpy)3](Cl)2 in the Low-Spin and in the High-Spin States Lawson Daku, Latevi Max; Hauser, Andreas 2010
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Unidirectional Photoisomerization of Styrylpyridine for Switching the Magnetic Behavior of an Iron(II) Complex: A MLCT Pathway in Crystalline Solids Tissot, Antoine; Boillot, Marie-Laure; Pillet, Sébastien; Codjovi, Epiphane; ... Lawson Daku, Latevi Max 2010
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Al3Li4(BH4)13: A Complex Double-Cation Borohydride with a New Structure Lindemann, Inge; Ferrer, Roger Domènech; Dunsch, Lothar; Filinchuk, Yaroslav; ... Gutfleisch, Oliver 2010
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Structural and vibrational properties of Ca2FeH6 and Sr2RuH6 Hagemann, Hans-Rudolf; D'Anna, Vincenza; Lawson Daku, Latevi Max; Gomes, Sandrine; ... Yvon, Klaus 2011
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A novel ruthenium(ii) complex for two-photon absorption-based optical power limiting in the near-IR range Four, Mickaël; Riehl, Didier; Mongin, Olivier; Blanchard-Desce, Mireille; ... Lemercier, Gilles 2011
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Photoinduced Symmetry-Breaking Charge Separation: The Direction of the Charge Transfer Markovic, Vesna; Villamaina, Diego; Barabanov, Igor Ivanovitch; Lawson Daku, Latevi Max; Vauthey, Eric 2011
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Photophysics of the galvinoxyl free radical revisited Grilj, Jakob; Zonca, Cédric; Lawson Daku, Latevi Max; Vauthey, Eric 2012
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Crystal Chemistry in the Barium Fluoride Chloride System Hagemann, Hans-Rudolf; D'Anna, Vincenza; Lawson Daku, Latevi Max; Kubel, Frank 2012
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Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH)6]2+ (M = Fe, Co) Lawson Daku, Latevi Max; Aquilante, Francesco; Robinson, Timothy W.; Hauser, Andreas 2012
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Bimetallic Borohydrides in the System M(BH4)2–KBH4 (M = Mg, Mn): On the Structural Diversity Schouwink, Pascal; D'Anna, Vincenza; Ley, Morten Brix; Lawson Daku, Latevi Max; ... Cerny, Radovan 2012
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Towards accurate estimates of the spin-state energetics of spin-crossover complexes within density functional theory: a comparative case study of cobalt(ii) complexes Vargas, Alfredo; Krivokapic, Itana; Hauser, Andreas; Lawson Daku, Latevi Max 2013
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A modified cyclen azaxanthone ligand as a new fluorescent probe for Zn2+ Nouri, Hela; Cadiou, Cyril; Lawson Daku, Latevi Max; Hauser, Andreas; ... Lemercier, Gilles 2013
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Vibrational spectra and structure of borohydrides D'Anna, Vincenza; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf 2013
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Crystal structure solution of an elusive polymorph of Dibenzylsquaramide Portell, Anna; Alcobé, Xavier; Lawson Daku, Latevi Max; Cerny, Radovan; Prohens, Rafel 2013
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Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective Lawson Daku, Latevi Max 2013
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Tetrathiafulvalene-s-tetrazine: versatile platform for donor–acceptor systems and multifunctional ligands Pop, Flavia; Ding, Jie; Lawson Daku, Latevi Max; Hauser, Andreas; Avarvari, Narcis 2013
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Experimental Evidence of Ultrafast Quenching of the 3MLCT Luminescence in Ruthenium(II) Tris-bipyridyl Complexes via a 3dd State Sun, Qinchao; Mosquera Vazquez, Sandra; Lawson Daku, Latevi Max; Guenee, Laure; ... Hauser, Andreas 2013
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Tetrathiafulvalene-Benzothiadiazoles as Redox-Tunable Donor-Acceptor Systems: Synthesis and Photophysical Study Pop, Flavia; Amacher, Anneliese; Avarvari, Narcis; Ding, Jie; ... Decurtins, Silvio 2013
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Where does the Raman optical activity of [Rh(en)3]3+ come from? Insight from a combined experimental and theoretical approach Humbert-Droz, Marie; Oulevey, Patric; Lawson Daku, Latevi Max; Luber, Sandra; ... Buergi, Thomas 2014
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Probing the Anisotropic Distortion of Photoexcited Spin Crossover Complexes with Picosecond X-ray Absorption Spectroscopy Canton, Sophie E.; Zhang, Xiaoyi; Lawson Daku, Latevi Max; Smeigh, Amanda L.; ... Sundström, Villy 2014
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On the role of ligand-field states for the photophysical properties of ruthenium(II) polypyridyl complexes Sun, Qinchao; Mosquera Vazquez, Sandra; Suffren, Yan Jonathan Mathieu; Hankache, Jihane; ... Hauser, Andreas 2015
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Pd2Au36(SR)24 cluster: structure studies Zhang, Bei; Kaziz, Sameh; Li, Houhua; Wodka, Dawid; ... Barrabes Rabanal, Noëlia 2015
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Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order Canton, S. E.; Zhang, X.; Lawson Daku, Latevi Max; Liu, Y.; ... Alvarez, S. 2015
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Dynamic Jahn–Teller Effect in the Metastable High-Spin State of Solvated [Fe(terpy)2]2+ Zhang, X.; Lawson Daku, Latevi Max; Zhang, J.; Suarez-Alcantara, K.; ... Canton, S. E. 2015
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