Quasirelativistic theory for the magnetic shielding constant. III. Quasirelativistic second-order Møller-Plesset perturbation theory and its application to tellurium compounds

Journal of Chemical Physics

Volumn 123, Issue 4, 2005, Pages

  Fukuda, Ryoichi ^a   Nakatsuji, Hiroshi ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFTS; ENERGY GRADIENTS; GAUGE-INCLUDING ATOMIC ORBITAL (GIAO); QUASIRELATIVISTIC (QR);

CORRELATION METHODS; MAGNETIC PROPERTIES; MAGNETIC SHIELDING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXIDATION; PARAMAGNETIC MATERIALS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

TELLURIUM COMPOUNDS;

EID: 23844503026     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1949204     Document Type: Article

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