Modern possibilities for calculating some properties of molecules and crystals from the experimental electron density

Crystallography Reports

Volumn 50, Issue 2, 2005, Pages 177-184

  Stash, A I ^a   Tsirelson, V G ^b  

^a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^b MENDELEEV UNIVERSITY OF CHEMICAL TECHNOLOGY OF RUSSIA   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL ATOMIC STRUCTURE; CRYSTAL SYMMETRY; DATA ACQUISITION; INTERFACES (COMPUTER); KINETIC ENERGY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PARAMETER ESTIMATION; POTENTIAL ENERGY; X RAY DIFFRACTION ANALYSIS;

ELECTRON LOCALIZATION; ELECTRONIC ENERGIES; LOCALIZATION FUNCTIONS; QUANTUM-MECHANICAL ELECTRON DENSITIES;

CARRIER CONCENTRATION;

EID: 17444424936     PISSN: 10637745     EISSN: None     Source Type: Journal    
DOI: 10.1134/1.1887890     Document Type: Article

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