Relativistic calculation of indirect NMR spin-spin couplings using the Douglas-Kroll-Hess approximation

Journal of Chemical Physics

Volumn 123, Issue 20, 2005, Pages

  Melo, Juan I ^a   De Azúa, Martín C Ruiz ^a   Peralta, Juan E ^b   Scuseria, Gustavo E ^b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; DOUGLAS-KROLL-HESS APPROXIMATION; HEAVY ELEMENTS; QUASIRELATIVISTIC APPROACH;

APPROXIMATION THEORY; HAMILTONIANS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

NUCLEAR MAGNETIC RESONANCE;

EID: 28344446590     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2133730     Document Type: Article

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