Modeling NMR chemical shift: A survey of density functional theory approaches for calculating tensor properties

Journal of Physical Chemistry A

Volumn 109, Issue 6, 2005, Pages 1180-1187

  Sefzik, Travis H ^a   Turco, Domenic ^a   Iuliucci, Robbie J ^a   Facelli, Julio C ^b  

^a WASHINGTON AND JEFFERSON COLLEGE   (United States)

^b UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY (DFT); SOLID-STATE NMR; SPECTRAL RESOLUTION;

ANISOTROPY; MATRIX ALGEBRA; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUCLEAR MAGNETIC RESONANCE; PARAMETER ESTIMATION; RANDOM PROCESSES; RELIABILITY; SINGLE CRYSTALS; TENSORS;

MOLECULAR DYNAMICS;

EID: 14544293474     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0455780     Document Type: Article

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