Accurate prediction of nuclear magnetic resonance shielding constants: Towards the accuracy of CCSD(T) complete basis set limit

Journal of Chemical Physics

Volumn 138, Issue 12, 2013, Pages

  Sun, Meng ^a   Zhang, Igor Ying ^a   Wu, Anan ^a   Xu, Xin ^a,b  

^a XIAMEN UNIVERSITY   (China)

^b FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; COMPLETE BASIS SET LIMIT; COUPLED-CLUSTER SINGLES AND DOUBLES; MAGNETIC PARAMETERS; NUCLEAR MAGNETIC RESONANCE SHIELDING; NUCLEAR MAGNETIC RESONANCE(NMR); SHIELDING CONSTANTS; TRIPLE EXCITATION;

ELECTRIC CIRCUIT BREAKERS; SHIELDING;

NUCLEAR MAGNETIC RESONANCE;

ARTICLE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY;

MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY;

EID: 84875799252     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4796485     Document Type: Article

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