Why betaine crystallizes in high local Cs symmetry. An ab initio MO and DFT study of anhydrous betaine and betaine monohydrate

Theoretical Chemistry Accounts

Volumn 101, Issue 1-3, 1999, Pages 209-214

  Nyrönen, Tommi H ^a   Suontamo, Reijo ^b   Pitkänen, Ilkka ^b  

^a IT Center for Science   (Finland)

^b UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

Ab initio molecular orbital and density functional theory calculations; Anhydrous betaine; Betaine monohydrate; Charge distribution; Rotational barrier; Trimethylglycine

Indexed keywords

EID: 0038851963     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050431     Document Type: Article

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