Transferability of atomic multipoles in amino acids and peptides for various density partitions

Journal of Physical Chemistry A

Volumn 117, Issue 7, 2013, Pages 1535-1547

  Woińska, Magdalena ^a   Dominiak, Paulina M ^a  

^a UNIVERSITY OF WARSAW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ASPHERICAL; BADER'S ATOMS; CRYSTALLOGRAPHIC DATA; ISOLATED MOLECULES; MOLECULAR ELECTRON DENSITY; MOLECULAR WAVE FUNCTIONS; MULTIPOLE EXPANSIONS; MULTIPOLE MOMENTS; MULTIPOLE REFINEMENTS; MULTIPOLES; PSEUDOATOMS; PSEUDOCUBIC CELLS; SMALL ORGANIC MOLECULES; THEORETICAL STRUCTURE; TRI-PEPTIDES; VARIOUS DENSITIES; X RAY MEASUREMENTS;

AMINO ACIDS; CARRIER CONCENTRATION; DATA PROCESSING; ELECTRON DENSITY MEASUREMENT; MOLECULES; PEPTIDES; SHAREHOLDERS; WAVE FUNCTIONS;

ATOMS;

AMINO ACID; PEPTIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

AMINO ACIDS; MODELS, MOLECULAR; PEPTIDES; QUANTUM THEORY;

EID: 84868141647     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp204010v     Document Type: Article

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