Study of hydrogen bonds in 1-methyluracil by DFT calculations of oxygen, nitrogen, and hydrogen quadrupole coupling constants and isotropic chemical shifts

Chemical Physics Letters

Volumn 438, Issue 4-6, 2007, Pages 304-307

  Mirzaei, Mahmoud ^a   Hadipour, Nasser L ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; NEUTRON DIFFRACTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC COMPOUNDS;

HEPTAMERIC CLUSTERS; MOLECULAR INTERACTION; QUADRUPOLE COUPLING CONSTANTS;

HYDROGEN BONDS;

EID: 34047247048     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.03.011     Document Type: Article

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