Predicting the NMR spectra of paramagnetic molecules by DFT: application to organic free radicals and transition-metal complexes.
about
A spirocyclohexyl nitroxide amino acid spin label for pulsed EPR spectroscopy distance measurements.Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.Ligand π-radical interaction with f-shell unpaired electrons in phthalocyaninato-lanthanoid single-molecule magnets: a solution NMR spectroscopic and DFT study.Mechanism, kinetics and selectivity of selenocyclization of 5-alkenylhydantoins: an experimental and computational studySizing the role of London dispersion in the dissociation of all-meta tert-butyl hexaphenylethane.Giant residual dipolar 13C-1H couplings in high-spin organoiron complexes: elucidation of their structures in solution by 13C NMR spectroscopy.Probing the C₆₀ triplet state coupling to nuclear spins inside and out.Characterization of Paramagnetic Reactive Intermediates: Predicting the NMR Spectra of Iron(IV)-Oxo Complexes by DFT.Predicting paramagnetic 1H NMR chemical shifts and state-energy separations in spin-crossover host-guest systems.Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.Predicting the paramagnet-enhanced NMR relaxation of H₂ encapsulated in endofullerene nitroxides by density-functional theory calculations.Bis(2-pyridylimino)isoindolato iron(II) and cobalt(II) complexes: structural chemistry and paramagnetic NMR spectroscopy.Combined In Situ Illumination-NMR-UV/Vis Spectroscopy: A New Mechanistic Tool in Photochemistry.Spin in density-functional theory
P2860
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P2860
Predicting the NMR spectra of paramagnetic molecules by DFT: application to organic free radicals and transition-metal complexes.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
2009年论文
@zh
2009年论文
@zh-cn
name
Predicting the NMR spectra of ...... nd transition-metal complexes.
@en
Predicting the NMR spectra of ...... nd transition-metal complexes.
@nl
type
label
Predicting the NMR spectra of ...... nd transition-metal complexes.
@en
Predicting the NMR spectra of ...... nd transition-metal complexes.
@nl
prefLabel
Predicting the NMR spectra of ...... nd transition-metal complexes.
@en
Predicting the NMR spectra of ...... nd transition-metal complexes.
@nl
P356
P1476
Predicting the NMR spectra of ...... nd transition-metal complexes.
@en
P2093
Alessandro Bagno
P304
P356
10.1002/CHEM.200802443
P407
P577
2009-08-01T00:00:00Z