Electric field gradients in Hg compounds: Molecular orbital (MO) analysis and comparison of 4-component and 2-component (ZORA) methods

Vaida Arcisauskaite, Stefan Knecht, Stephan P. A. Sauer, Lars Hemmingsen
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp42291c

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