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Development of Density Functional Tight-Binding Parameters Using Relative Energy Fitting and Particle Swarm Optimization.
Aguirre, Néstor F; Morgenstern, Amanda; Cawkwell, M J; Batista, Enrique R; Yang, Ping.
Afiliação
  • Aguirre NF; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Morgenstern A; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Cawkwell MJ; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Batista ER; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Yang P; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
J Chem Theory Comput ; 16(3): 1469-1481, 2020 Mar 10.
Article em En | MEDLINE | ID: mdl-32078317
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2020 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2020 Tipo de documento: Article