Accurate charge density of trialanine: a comparison of the multipole formalism and the maximum entropy method (MEM)

Acta Crystallographica Section B: Structural Science

Volumn 63, Issue 2, 2007, Pages 285-295

  Hofmann, Andreas ^a   Netzel, Jeanette ^a   Van Smaalen, Sander ^a  

^a UNIVERSITY OF BAYREUTH   (Germany)

Author keywords

Accurate charge density; Maximum entropy method; Multipole formalism; Peptides

Indexed keywords

MATHEMATICAL MODELS; PEPTIDES; QUANTUM CHEMISTRY; THERMAL EFFECTS;

ACCURATE CHARGE DENSITY; BOND CRITICAL POINTS (BCP); MAXIMUM ENTROPY METHOD; MULTIPOLE FORMALISM;

CHARGE DENSITY;

EID: 33947545566     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768106052153     Document Type: Article

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