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Polarizable Charge Equilibration Model for Transition-Metal Elements.
Kwon, Soonho; Naserifar, Saber; Lee, Hyuck Mo; Goddard, William A.
Afiliación
  • Kwon S; Department of Materials Science and Engineering , KAIST , 291 Daehak-ro , Yuseong-gu, Daejeon 34141 , Republic of Korea.
  • Naserifar S; Materials and Process Simulation Center , California Institute of Technology , Pasadena , California 91125 , United States.
  • Lee HM; Department of Materials Science and Engineering , KAIST , 291 Daehak-ro , Yuseong-gu, Daejeon 34141 , Republic of Korea.
  • Goddard WA; Materials and Process Simulation Center , California Institute of Technology , Pasadena , California 91125 , United States.
J Phys Chem A ; 122(48): 9350-9358, 2018 Dec 06.
Article en En | MEDLINE | ID: mdl-30412403
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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Phys Chem A Asunto de la revista: QUIMICA Año: 2018 Tipo del documento: Article
Texto completo
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XML
PubMed Links
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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Phys Chem A Asunto de la revista: QUIMICA Año: 2018 Tipo del documento: Article