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, Latévi Max
Published in Physical chemistry chemical physics : PCCP (21.03.2013)
Published in Physical chemistry chemical physics : PCCP (21.03.2013)
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Significant Variation of the Singlet-Quintet Intersystem Crossing Rate Constant in an Iron(II) High‐Spin Complex as a Function of Temperature
Krivokapic, Itana, Chakraborty, Pradip, Bronisz, Robert, Enachescu, Cristian, Hauser, Andreas
Published in Angewandte Chemie (International ed.) (02.11.2010)
Published in Angewandte Chemie (International ed.) (02.11.2010)
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The interaction between the spin transition and a crystallographic phase transition in the spin-crossover compound [Fe(bbtr) 3](ClO 4) 2: Nucleation, formation of domains and fluctuations
Krivokapic, Itana, Enachescu, Cristian, Bronisz, Robert, Hauser, Andreas
Published in Inorganica Chimica Acta (01.09.2008)
Published in Inorganica Chimica Acta (01.09.2008)
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Optical investigation of spin-crossover in cobalt(II) bis-terpy complexes
Enachescu, Cristian, Krivokapic, Itana, Zerara, Mohamed, Real, Jose Antonio, Amstutz, Nahid, Hauser, Andreas
Published in Inorganica Chimica Acta (01.10.2007)
Published in Inorganica Chimica Acta (01.10.2007)
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Spin-crossover in cobalt(II) imine complexes
Krivokapic, Itana, Zerara, Mohamed, Daku, Max Lawson, Vargas, Alfredo, Enachescu, Cristian, Ambrus, Christina, Tregenna-Piggott, Philip, Amstutz, Nahid, Krausz, Elmars, Hauser, Andreas
Published in Coordination chemistry reviews (01.02.2007)
Published in Coordination chemistry reviews (01.02.2007)
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Synthesis, characterisation and magnetic study of a cyano-substituted dysprosium double decker single-molecule magnet
Waters, Michael, Moro, Fabrizio, Krivokapic, Itana, McMaster, Jonathan, van Slageren, Joris
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2012)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2012)
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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) complexesElectronic supplementary information (ESI) available: Selected bond lengths and angles characterizing the optimized LS and HS geometries of [Co(tpy)2]2+, values found for the pseudo-Jahn-Teller stabilization energy of LS [Co(tpy)2]2+ and for the tetragonal splitting of the HS state in [Co(tpy)2]2+, results obtained for the study at
Vargas, Alfredo, Krivokapic, Itana, Hauser, Andreas, Lawson Daku, Latévi Max
Year of Publication 20.02.2013
Year of Publication 20.02.2013
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Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(iv) complexesElectronic supplementary information (ESI) available: VT MCD spectra, VT and VTVH MCD intensity analysis of complex 1, energies, 〈Sx〉, 〈Sz〉 values and Boltzmann populations of S = 1 magnetic sublevels as a function of the applied magnetic field, derivation of the excited states arising from the 1b2 → 2b1 transition, determination of the C-term sign of band 1 and the E(2e → 2a1) transitions for comp
Ye, Shengfa, Xue, Genqiang, Krivokapic, Itana, Petrenko, Taras, Bill, Eckhard, Que Jr, Lawrence, Neese, Frank
Year of Publication 20.04.2015
Year of Publication 20.04.2015
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Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(iv) complexes† †Electronic supplementary information (ESI) available: VT MCD spectra, VT and VTVH MCD intensity analysis of complex 1, energies, S x , S z values and Boltzmann populations of S = 1 magnetic sublevels as a function of the applied magnetic field, derivation of the excited states arising from the 1b2 → 2b1 transition, determination of the C-term sign of band 1 and the E(2e → 2a1) transitions for co
Ye, Shengfa, Xue, Genqiang, Krivokapic, Itana, Petrenko, Taras, Bill, Eckhard, Que Jr, Lawrence, Neese, Frank
Published in Chemical science (Cambridge) (26.02.2015)
Published in Chemical science (Cambridge) (26.02.2015)
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Correction to Highly Reduced Double-Decker Single-Molecule Magnets Exhibiting Slow Magnetic Relaxation
Gonidec, Mathieu, Krivokapic, Itana, Vidal-Gancedo, Jose, Davies, E. Stephen, McMaster, Jonathan, Gorun, Sergiu M, Veciana, Jaume
Published in Inorganic chemistry (21.10.2013)
Published in Inorganic chemistry (21.10.2013)
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Synthesis, characterisation and magnetic study of a cyano-substituted dysprosium double decker single-molecule magnetElectronic supplementary information (ESI) available. See DOI: 10.1039/c1dt11880c
Waters, Michael, Moro, Fabrizio, Krivokapic, Itana, McMaster, Jonathan, Slageren, Joris van
Year of Publication 03.01.2012
Year of Publication 03.01.2012
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Magnetic properties of a novel family of ferrous cubanes
Piga, Francesco, Moro, Fabrizio, Krivokapic, Itana, Blake, Alexander J, Edge, Ruth, McInnes, Eric J L, Evans, David J, McMaster, Jonathan, van Slageren, Joris
Published in Chemical communications (Cambridge, England) (01.01.2012)
Published in Chemical communications (Cambridge, England) (01.01.2012)
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Magnetic properties of a novel family of ferrous cubanesElectronic supplementary information (ESI) available: Experimental details, Crystal structures, selected bond lengths, susceptibility and magnetisation data and fits, MCD spectra, Mssbauer spectra. CCDC 820008 (1) and 820009 (2). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2cc16853g
Piga, Francesco, Moro, Fabrizio, Krivokapic, Itana, Blake, Alexander J, Edge, Ruth, McInnes, Eric J. L, Evans, David J, McMaster, Jonathan, Slageren, Joris van
Year of Publication 01.02.2012
Year of Publication 01.02.2012
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Anisotropic Hyperfine Interaction in the Manganese(III) Hexaaqua Ion
Krivokapic̃, Itana, Noble, Chris, Klitgaard, Søren, Tregenna-Piggott, Philip, Weihe, Høgni, Barra, Anne-Laure
Published in Angewandte Chemie (06.06.2005)
Published in Angewandte Chemie (06.06.2005)
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Riesenvariation der Geschwindigkeitskonstante des Singulett‐Quintett‐Intersystem‐Crossings in einem Eisen(II)‐high‐spin‐Komplex als Funktion der Temperatur
Krivokapic, Itana, Chakraborty, Pradip, Bronisz, Robert, Enachescu, Cristian, Hauser, Andreas
Published in Angewandte Chemie (02.11.2010)
Published in Angewandte Chemie (02.11.2010)
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