Ab initio and DFT computer studies of equilibria between quaternary nitrogen hydroxides, including those of choline and acetylcholine, with the water complexes of their ylidic forms

Journal of Molecular Structure: THEOCHEM

Volumn 776, Issue 1-3, 2006, Pages 33-39

  Davies, Andrew S ^a   Wynne Evans, E ^a   George, William O ^a  

^a UNIVERSITY OF GLAMORGAN   (United Kingdom)

Author keywords

Ab initio; DFT; Neurotransmitters; PES; Quaternary N compounds: trimethylammonium, tetramethylammonium, trimethylethylammonium, choline, acetylcholine hydroxides; Ylides

Indexed keywords

EID: 33749453797     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.08.016     Document Type: Article

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