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Unveiling the atomistic and electronic structure of Ni II –NO adduct in a MOF-based catalyst by EPR spectroscopy and quantum chemical modelling

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inferredcites →https://doi.org/10.1002/9780470034590.emrstm1515openalex-snapshot
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inferredcites →https://doi.org/10.1002/9780470147214.ch4openalex-snapshot
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inferredcites →https://doi.org/10.1002/anie.201310004openalex-snapshot
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inferredcites →https://doi.org/10.1002/anie.202003122openalex-snapshot
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inferredcites →https://doi.org/10.1002/cite.330630718openalex-snapshot
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inferredcites →https://doi.org/10.1002/jcc.20019openalex-snapshot
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inferredcites →https://doi.org/10.1002/jcc.20120openalex-snapshot
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inferredcites →https://doi.org/10.1002/jcc.21759openalex-snapshot
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inferredcites →https://doi.org/10.1002/jcc.26013openalex-snapshot
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inferredcites →https://doi.org/10.1002/mrc.1662openalex-snapshot
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inferredcites →https://doi.org/10.1002/mrc.5237openalex-snapshot
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inferredcites →https://doi.org/10.1002/wcms.1360openalex-snapshot
Quantum‐mechanical condensed matter simulations with CRYSTAL
inferredcites →https://doi.org/10.1006/jmre.1997.1293openalex-snapshot
Application of High Frequency EPR to Integer Spin Systems: Unusual Behavior of the Double-Quantum Line
inferredcites →https://doi.org/10.1006/jmre.2002.2504openalex-snapshot
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inferredcites →https://doi.org/10.1016/0009-2614(96)00119-4openalex-snapshot
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inferredcites →https://doi.org/10.1016/0304-5102(84)85039-7openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.ccr.2008.05.014openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.jcat.2010.01.020openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.jmr.2005.08.013openalex-snapshot
EasySpin, a comprehensive software package for spectral simulation and analysis in EPR
inferredcites →https://doi.org/10.1016/j.jmr.2005.09.007openalex-snapshot
Tunable-frequency high-field electron paramagnetic resonance
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EPR and optical studies of Ni(II) ions in Zn(4-chloropyrazole)6(ClO4)2 at 300 K: Probing the structure, bonding, and electron spin relaxation
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inferredcites →https://doi.org/10.1016/j.saa.2003.10.043openalex-snapshot
Paramagnetic species on catalytic surfaces—DFT investigations into structure sensitivity of the hyperfine coupling constants
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Nitric oxide adsorbed on zeolites: EPR studies
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Principles of structure, bonding, and reactivity for metal nitrosyl complexes
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Single and double quantum transitions in the multi-frequency continuous wave electron paramagnetic resonance (cwEPR) of three six co-ordinate nickel(II) complexes: [Ni(EtL)2(Me5dien)] and [Ni(5-methylpyrazole)6]X2, X=(ClO4)- or (BF4)-. The single crystal X-ray structure at room temperature of…
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inferredcites →https://doi.org/10.1063/1.4772960openalex-snapshot
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inferredcites →https://doi.org/10.1063/1.4790167openalex-snapshot
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inferredcites →https://doi.org/10.1081/cr-100100260openalex-snapshot
Identification of Neutral and Charged N x O y Surface Species by IR Spectroscopy
inferredcites →https://doi.org/10.1098/rspa.1964.0186openalex-snapshot
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