Selected new developments in computational chemistry

Environmental Health Perspectives

Volumn 104, Issue SUPPL. 1, 1996, Pages 69-74

  Darden, Thomas A ^a   Bartolotti, L ^b   Pedersen, Lee G ^a,c  

^a NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES   (United States)

^b North Carolina Supercomputing Center   (United States)

^c University of North Carolina at Chapel Hill   (United States)

Author keywords

Fast multipole expansion; Molecular dynamics; Particle mesh Ewald; Potential energy surfaces; Quantum mechanics; Rate constants; Transition states

Indexed keywords

ENVIRONMENTAL HEALTH; MOLECULAR DYNAMICS; MOLECULE; PREDICTION; PRIORITY JOURNAL; QUANTUM MECHANICS; REVIEW;

EID: 0029947596     PISSN: 00916765     EISSN: None     Source Type: Journal    
DOI: 10.1289/ehp.96104s169     Document Type: Review

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