A first principles theory of nuclear magnetic resonance J -coupling in solid-state systems

Journal of Chemical Physics

Volumn 127, Issue 20, 2007, Pages

  Joyce, Siân A ^a   Yates, Jonathan R ^b   Pickard, Chris J ^c   Mauri, Francesco ^d  

^a UNIVERSITY COLLEGE CORK   (Ireland)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c UNIVERSITY OF ST ANDREWS   (United Kingdom)

^d UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DATA REDUCTION; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY;

COUPLING CONSTANTS; ELECTRON PROPERTIES; QUANTUM CHEMICALS;

SOLID STATE DEVICES;

ORGANOSILICON DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CRYSTALLIZATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; STANDARD;

CRYSTALLIZATION; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; ORGANOSILICON COMPOUNDS; QUANTUM THEORY; REFERENCE STANDARDS;

EID: 36549061910     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2801984     Document Type: Article

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