Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections

Journal of Chemical Physics

Volumn 123, Issue 1, 2005, Pages

  Oprea, Corneliu I ^a   Rinkevicius, Zilvinas ^a   Vahtras, Olav ^a   Ågren, Hans ^a   Ruud, Kenneth ^b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF TROMSØ   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); GEOMETRICAL STRUCTURES; MOLECULAR SYSTEMS; SPIN-SPIN COUPLING CONSTANTS;

CORRELATION METHODS; ELECTRONIC STRUCTURE; LEAD COMPOUNDS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; TIN COMPOUNDS;

ELECTRON ENERGY LEVELS;

EID: 22844452433     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1947190     Document Type: Article

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