A converse approach to the calculation of NMR shielding tensors

Journal of Chemical Physics

Volumn 131, Issue 10, 2009, Pages

  Thonhauser, T ^a,b,e   Ceresoli, D ^b   Mostofi, Arash A ^b   Marzari, Nicola ^b   Resta, R ^c   Vanderbilt, David ^d  

^a WAKE FOREST UNIVERSITY   (United States)

^b Massachusetts Institute of Technology Cambridge   (United States)

^c UNIVERSITY OF TRIESTE   (Italy)

^d RUTGERS UNIVERSITY   (United States)

^e IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALTERNATIVE APPROACH; FIRST-PRINCIPLES CALCULATION; LIQUID WATER; MAGNETIC DIPOLE; NMR SHIELDING; ORBITAL MAGNETIZATION; PERIODIC SYSTEM;

HYDROCARBONS; NUCLEAR MAGNETIC RESONANCE; SHIELDING;

TENSORS;

EID: 70349267793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3216028     Document Type: Article

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