Magnetic resonance tensors in Uracil: Calculation of 13C, 15N, 17O NMR chemical shifts, 17O and 14N electric field gradients and measurement of 13C and 15N chemical shifts

Solid State Nuclear Magnetic Resonance

Volumn 37, Issue 1-2, 2010, Pages 13-20

  Amini, Saeed K ^a   Shaghaghi, Hoora ^a   Bain, Alex D ^b   Chabok, Ammar ^a   Tafazzoli, Mohsen ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

^b MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP METHOD; BASIS SETS; CHEMICAL SHIELDING; CHEMICAL SHIFT TENSORS; EFG TENSORS; ELECTRIC FIELD GRADIENTS; EXPERIMENTAL VALUES; HYDROGEN NUCLEI; NMR CHEMICAL SHIFTS; OPTIMAL METHODS; OXYGEN NUCLEI; STRUCTURAL METHODS; THEORETICAL CALCULATIONS; WEAK HYDROGEN BOND;

CHEMICAL SHIFT; ELECTRIC FIELDS; HYDROGEN; OPTIMIZATION; OXYGEN; RESONANCE; SHIELDING; TENSORS;

HYDROGEN BONDS;

URACIL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; URACIL;

EID: 77952108441     PISSN: 09262040     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssnmr.2009.12.001     Document Type: Article

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