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Revisiting the role of exact exchange in DFT spin-state energetics of transition metal complexes
British Library Online Contents | 2014| -
Mono- and Dinitrosyls on Copper(I) Site in a Zeolite Model: Effects of Static Correlation
British Library Online Contents | 2011| -
Binding of CO, NO, and O~2 to Heme by Density Functional and Multireference ab Initio Calculations
British Library Online Contents | 2008| -
Nitric oxide as a non-innocent ligand in (bio-)inorganic complexes: Spin and electron transfer in Fe^I^I?NO bond
British Library Online Contents | 2014| -
Methyl iodide rhombencephalopathy: clinico-radiological features of a preventable, potentially fatal industrial accident
British Library Online Contents | 2013| -
On the nature of spin- and orbital-resolved $ Cu^{+} $–NO charge transfer in the gas phase and at Cu(I) sites in zeolites
Free accessOnline Contents | 2012| -
On the nature of spin- and orbital-resolved Cu+–NO charge transfer in the gas phase and at Cu(I) sites in zeolites
Free accessSpringer Verlag | 2012| -
Electronic Structure of Selected (FeNO)^7 Complexes in Heme and Non-Heme Architectures: A Density Functional and Multireference ab Initio Study
British Library Online Contents | 2010| -
Mixed-valence V^I^V/V^V tetrametallate core {V4N2O14} cluster containing tris(hydroxymethyl)aminomethane and acetylacetone
British Library Online Contents | 2014| -
Ammonia-modified Co(II) sites in zeolites: spin and electron density redistribution through the CoII-NO bond
British Library Online Contents | 2016| -
The dependence on ammonia pretreatment of N−O activation by Co(II) sites in zeolites: a DFT and ab initio molecular dynamics study
Free accessOnline Contents | 2017| -
Autocatalytic cathodic dehalogenation triggered by dissociative electron transfer through a C-HO hydrogen bond
British Library Online Contents | 2013| -
The time course and phenotype of Uhthoff phenomenon following optic neuritis
British Library Online Contents | 2012| -
On the nature of spin- and orbital-resolved Cu+–NO charge transfer in the gas phase and at Cu(I) sites in zeolites
British Library Online Contents | 2012| -
The dependence on ammonia pretreatment of N−O activation by Co(II) sites in zeolites: a DFT and ab initio molecular dynamics study
Free accessSpringer Verlag | 2017| -
Ammonia-modified Co(II) sites in zeolites: IR spectroscopy and spin-resolved charge transfer analysis of NO adsorption complexes
British Library Online Contents | 2014| -
CHEMOMETRIC CHARACTERIZATION OF MODEL COMPOUNDS RETENTION IN SALTING-OUT THIN LAYER CHROMATOGRAPHY ON SILICA
British Library Online Contents | 2011|
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