Beyond DP4: An Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts

Journal of Organic Chemistry

Volumn 80, Issue 24, 2015, Pages 12526-12534

  Grimblat, Nicolás ^a   Zanardi, María M ^a,b   Sarotti, Ariel M ^a  

^a Universidad Nacional de Rosario   (Argentina)

^b PONTIFICIA UNIVERSIDAD CATÓLICA ARGENTINA   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; ORBITAL CALCULATIONS; PROBABILITY; QUANTUM CHEMISTRY;

ISOMERIC COMPOUNDS; NMR CALCULATIONS; NMR CHEMICAL SHIFTS; ORGANIC MOLECULES; QUANTUM CHEMICAL CALCULATIONS;

CHEMICAL COMPOUNDS;

CALCULATION; ISOMERIZATION; NUCLEAR MAGNETIC RESONANCE; PROBABILITY; STEREOCHEMISTRY; THEORETICAL MODEL;

EID: 84952815503     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/acs.joc.5b02396     Document Type: Article

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