X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations

Acta Crystallographica Section A: Foundations of Crystallography

Volumn 64, Issue 3, 2008, Pages 383-393

  Jayatilaka, Dylan ^a   Dittrich, Birger ^b  

^a UNIVERSITY OF WESTERN AUSTRALIA   (Australia)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

Aspherical atomic density functions; Electron density; Neutron diffraction; Quantum mechanical density fragments

Indexed keywords

BENZENE; UREA;

ANISOTROPY; ARTICLE; CHEMICAL MODEL; CHEMISTRY; METHODOLOGY; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

ANISOTROPY; BENZENE; CRYSTALLOGRAPHY, X-RAY; MODELS, CHEMICAL; QUANTUM THEORY; UREA;

EID: 42449124686     PISSN: 01087673     EISSN: 16005724     Source Type: Journal    
DOI: 10.1107/S0108767308005709     Document Type: Article

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