Theoretical calculations of the Xe chemical shifts in cryptophane cages

Journal of Chemical Physics

Volumn 119, Issue 23, 2003, Pages 12231-12244

  Sears, Devin N ^a   Jameson, Cynthia J ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOSENSORS; CALCULATIONS; COMPUTER SIMULATION; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; STATISTICAL MECHANICS; XENON;

CHEMICAL SHIFTS; CRYPTOPHANE CAGES; DENSITY FUNCTIONAL METHOD; HARTREE-FOCK METHOD; NUCLEAR MAGNETIC SHIELDING;

MOLECULAR DYNAMICS;

EID: 0346058187     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1625364     Document Type: Article

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