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Volumn 602-603, Issue , 2002, Pages 159-164

Modeling NMR chemical shifts: Surface charge representation of the electrostatic embedding potential modeling of crystalline intermolecular effects in 19F solid state NMR chemical shifts

(3) Solis D a Ferraro, M B a Facelli, J C b

a UNIVERSIDAD DE BUENOS AIRES (Argentina)

b UNIVERSITY OF UTAH (United States)

Author keywords

19F NMR; Chemical shielding calculations; Crystalline intermolecular effects

Indexed keywords

2 FLUOROBENZOIC ACID; 4 FLUOROBENZOIC ACID; FLUORANIL; FLUOROURACIL; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CALCULATION; CORRELATION FUNCTION; CRYSTAL STRUCTURE; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM MECHANICS; SOLID STATE; SURFACE CHARGE;

EID: 0037045258 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(01)00713-X Document Type: Article

Times cited : (30)

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