DFT calculations of EPR parameters of transition metal complexes: Implications for catalysis

This publication has 90 references indexed in Scilit:

• Two-Dimensional Pulsed EPR Studies of Vanadium-Exchanged ZSM-5
  The Journal of Physical Chemistry B, 2004
• Density Functional Theory Calculations of Nitrogen Hyperfine and Quadrupole Coupling Constants in Oxovanadium(IV) Complexes
  The Journal of Physical Chemistry A, 2003
• DFT Calculations of Proton Hyperfine Coupling Constants for [VO(H₂O)₅]²⁺: Comparison with Proton ENDOR Data
  The Journal of Physical Chemistry A, 2001
• Combining Theory and Experiment to Interpret the EPR Spectra of VO²⁺-Exchanged Zeolites
  The Journal of Physical Chemistry A, 2001
• Electron spin echo envelope modulation study on oxovanadium(IV)-porphyrin complexes: reinvestigation of hyperfine and quadrupole couplings of pyrrole nitrogen
  The Journal of Physical Chemistry, 1993
• Multifrequency ESEEM spectroscopy of ammonia adsorbed on silica-supported reduced molybdenum oxide
  The Journal of Physical Chemistry, 1992
• Multifrequency and orientation-selective ESEEM spectroscopy of ammonia adsorbed on a silica-supported vanadium oxide catalyst
  The Journal of Physical Chemistry, 1992
• Characterization of ruthenium species generated in H-X zeolite: interaction with carbon monoxide, nitric oxide, oxygen, and water
  The Journal of Physical Chemistry, 1991
• Electron spin echo modulation study of the interaction of copper(2+) with framework aluminum in ZSM-5 zeolite
  The Journal of Physical Chemistry, 1989
• An electron spin resonance and electron spin-echo modulation study of paramagnetic rhodium species generated in Ca-Y and Na-Y zeolites
  Journal of the American Chemical Society, 1987