articleCoordination Chemistry ReviewsMay 30, 2008Closed access

Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

FNFrank Neese

University of Bonn

Indexed incrossref

Abstract

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Citation impact

1,059
total citations
FWCI
19.02
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100%
References
378
Citations per year

Authors

1

Topics & keywords

Topics
Keywords
  • Density functional theory
  • Chemistry
  • Vibrational circular dichroism
  • Magnetic circular dichroism
  • Raman spectroscopy
  • Electron paramagnetic resonance
  • Computational chemistry
  • Coupling (piping)
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