Analyzing molecular properties calculated with two-component relativistic methods using spin-free natural bond orbitals: NMR spin-spin coupling constants

Journal of Chemical Physics

Volumn 127, Issue 12, 2007, Pages

  Autschbach, Jochen ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; MOLECULAR STRUCTURE; PLATINUM COMPOUNDS; RELATIVITY;

ELECTRON DELOCALIZATION; SPIN-SPIN COUPLING;

DENSITY FUNCTIONAL THEORY;

EID: 34848862391     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2768363     Document Type: Article

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