The accuracy of hyperfine integrals in relativistic NMR computations based on the zeroth-order regular approximation

Theoretical Chemistry Accounts

Volumn 112, Issue 1, 2004, Pages 52-57

  Autschbach, Jochen ^a,b  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

Atomic hyperfine integrals; NMR calculations relativistic quantum chemistry

Indexed keywords

MERCURY;

ACCURACY; ANALYTICAL ERROR; ARTICLE; ATOM; CALCULATION; NUCLEAR MAGNETIC RESONANCE; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; SPIN LABELING;

EID: 2442461971     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0561-0     Document Type: Article

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