One-bond and long-range coupling constants of substituted 2-cyanopyridines. GIAO/DFT calculations of proton and carbon chemical shifts and coupling constants

Journal of Molecular Structure

Volumn 783, Issue 1-3, 2006, Pages 191-203

  Katritzky, Alan R ^a   Akhmedov, Novruz G ^a   Güven, Alâattin ^b   Scriven, Eric F V ^a   Majumder, Suman ^a   Akhmedova, Rena G ^a   Hall, C Dennis ^a  

^a University of Florida ^*  (United States)

^b ANADOLU UNIVERSITY   (Turkey)

Author keywords

2 Cyanopyridines; GIAO; Long range coupling constants; Proton coupled 13C NMR spectra

Indexed keywords

CARBON; CHEMICAL BONDS; COMPUTER SIMULATION; COMPUTER SOFTWARE; DERIVATIVES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION;

2-CYANOPYRIDINES; GIAO; LONG-RANGE COUPLING CONSTANTS;

ORGANIC COMPOUNDS;

EID: 31844433341     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.07.003     Document Type: Article

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