Local and global similarities of molecules: Electron density theorems, computational aspects, and applications

European Congress on Computational Methods in Applied Sciences and Engineering, ECCOMAS 2000

Volumn , Issue , 2000, Pages

  Mezey, Paul G ^a,b,c  

^a INSTITUTE FOR ADVANCED STUDY   (Hungary)

^b CODATA Secretariat ^*  (France)

^c UNIVERSITY OF SASKATCHEWAN   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL ASPECTS; HOHENBERG-KOHN THEOREM; HOST GUEST INTERACTIONS; MOLECULAR ELECTRON DENSITY; MOLECULAR SIMILARITY; PHARMACEUTICAL DRUGS; SPATIAL REQUIREMENTS; TOXICOLOGICAL RISK ASSESSMENT;

CHEMICAL BONDS; COMPUTATION THEORY; COMPUTATIONAL METHODS; ELECTRON DENSITY MEASUREMENT; ELECTRONS; FUNCTIONAL GROUPS; HOLOGRAPHY; MACROMOLECULES; MOLECULAR RECOGNITION; QUANTUM CHEMISTRY; RISK ASSESSMENT;

CARRIER CONCENTRATION;

EID: 1042294598     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (18)

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