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Atom Equivalent Energies for the Rapid Estimation of the Heat of Formation of Explosive Molecules from Density Functional Tight Binding Theory.
Cawkwell, Marc J; Burch, Alexandra C; Ferreira, Suyana R; Lease, Nicholas; Manner, Virginia W.
Affiliation
  • Cawkwell MJ; Los Alamos National Laboratory, Mail Stop B221 Los Alamos, New Mexico 87545, United States.
  • Burch AC; Los Alamos National Laboratory, Mail Stop B221 Los Alamos, New Mexico 87545, United States.
  • Ferreira SR; Los Alamos National Laboratory, Mail Stop B221 Los Alamos, New Mexico 87545, United States.
  • Lease N; Los Alamos National Laboratory, Mail Stop B221 Los Alamos, New Mexico 87545, United States.
  • Manner VW; Los Alamos National Laboratory, Mail Stop B221 Los Alamos, New Mexico 87545, United States.
J Chem Inf Model ; 61(7): 3337-3347, 2021 07 26.
Article in En | MEDLINE | ID: mdl-34252276
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Explosive Agents Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2021 Document type: Article Affiliation country: United States Country of publication: United States
Fulltext
Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Explosive Agents Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2021 Document type: Article Affiliation country: United States Country of publication: United States