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Toward Quantum Chemical Free Energy Simulations of Platinum Nanoparticles on Titania Support.
Vuong, Van-Quan; Lee, Ka Hung; Savara, Aditya A; Fung, Victor; Irle, Stephan.
Affiliation
  • Vuong VQ; Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, United States.
  • Lee KH; Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, United States.
  • Savara AA; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
  • Fung V; Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
  • Irle S; Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville, Tennessee 37996, United States.
J Chem Theory Comput ; 19(18): 6471-6483, 2023 Sep 26.
Article in En | MEDLINE | ID: mdl-37647252
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2023 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 Language: En Journal: J Chem Theory Comput Year: 2023 Document type: Article Affiliation country: United States Country of publication: United States