Electron-density-dependent fused-sphere surfaces derived from pseudopotential calculations

Journal of Computer-Aided Molecular Design

Volumn 13, Issue 3, 1999, Pages 315-324

  Arteca, Gustavo A ^a,b   Grant, Naomi D ^a  

^a LAURENTIAN UNIVERSITY   (Canada)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Atomic radii; Isodensity contour surface; LANL2DZ basis set; Molecular shape; Molecular surface

Indexed keywords

ATOMS; ELECTRON DENSITY MEASUREMENT; ELECTRONS; MOLECULES; SPHERES;

ATOMIC RADIUS; BASIS SETS; CONTOUR SURFACE; ISODENSITY; ISODENSITY CONTOUR SURFACE; LANL2DZ BASE SET; MOLECULAR SHAPES; MOLECULAR SURFACES; SIMPLE++; SPHERE SURFACES;

CARRIER CONCENTRATION;

ARTICLE; ATOM; CHEMICAL STRUCTURE; ELECTRON; MOLECULAR INTERACTION; PRIORITY JOURNAL;

EID: 0033045161     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008018802504     Document Type: Article

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