Variational particle number approach for rational compound design

Physical Review Letters

Volumn 95, Issue 15, 2005, Pages

  Von Lilienfeld, O Anatole ^a   Lins, Roberto D ^a   Rothlisberger, Ursula ^a  

^a EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ANTICANCER DRUG; ELECTRONIC CHEMICAL POTENTIAL; MOLECULAR MECHANICS; RATIONAL COMPOUND DESIGN (RCD);

DRUG PRODUCTS; MOLECULAR DYNAMICS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; TUMORS;

HIGH ENERGY PHYSICS;

EID: 28844462494     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.95.153002     Document Type: Article

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