An investigation of the 17O NMR chemical shifts in oxiranes using magnetically corrected basis sets

Journal of Physical Chemistry A

Volumn 106, Issue 16, 2002, Pages 4176-4180

  Rossikhin, Vladimir V ^b   Okovytyy, Sergey I ^c   Kasyan, Lilija I ^c   Voronkov, Eugene O ^b   Umrikhina, Ludmila K ^c   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b Dnipro National University of Railway Transport Named after Academician V Lazaryan   (Ukraine)

^c OLES HONCHAR DNIPRO NATIONAL UNIVERSITY   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

EPOXIDIC COMPOUND; HARTFREE-FOCK PERTURBATION THEORY; MAGNETICALLY CORRECTED BASIS SET; OXIRANE; STEREOISOMER; STEREOISOMERIC BICYCLIC EPOXIDE;

CALCULATIONS; GREEN'S FUNCTION; ISOMERS; MAGNETIC FIELDS; MATHEMATICAL MODELS; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PERTURBATION TECHNIQUES;

ETHERS;

EID: 0037172117     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0139080     Document Type: Article

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