Quasirelativistic theory for magnetic shielding constants. II. Gauge-including atomic orbitals and applications to molecules

Journal of Chemical Physics

Volumn 118, Issue 3, 2003, Pages 1027-1035

  Fukuda, Ryoichi ^a   Hada, Masahiko ^a   Nakatsuji, Hiroshi ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

HALOGEN ELEMENTS; HAMILTONIANS; MAGNETIC SHIELDING; MOLECULAR DYNAMICS; PROTONS; RELATIVITY;

ATOMIC ORBITALS; DOUGLAS-KROLL-HESS TRANSFORMATION; MERCURY DIHALIDES; PARAMAGNETIC SHIELDING; QUASIRELATIVISTIC THEORY; SPIN ORBIT INTERACTION;

QUANTUM THEORY;

EID: 0037439975     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1528934     Document Type: Article

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