Fast topological analysis of 2D and 3D grids of data: Application to the Atoms in Molecule (AIM) and the Electron Localization Function (ELF)

Journal of Computational Chemistry

Volumn 25, Issue 15, 2004, Pages 1920-1925

  Soler, Philippe ^a   Foster, Franck ^a   Chevreau, Hilaire ^a  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

2D and 3D grids of data; Atom in molecule (AIM); Electron localization functional (ELF)

Indexed keywords

ALGORITHMS; ATOMS; CARRIER CONCENTRATION; CHEMICAL BONDS; ELECTRONS;

ATOMS IN MOLECULE (AIM); ELECTRON LOCALIZATION FUNCTION; GLOBAL CONNECTIVITY;

MOLECULAR DYNAMICS;

EID: 8344254395     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20102     Document Type: Article

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