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Thermodynamic and kinetic modeling of electrocatalytic reactions using a first-principles approach.
M, Vasanthapandiyan; Singh, Shagun; Bononi, Fernanda; Andreussi, Oliviero; Karmodak, Naiwrit.
Affiliation
  • M V; Department of Chemistry, Shiv Nadar Institution of Eminence, Dadri, Gautam Buddha Nagar, Uttar Pradesh 201314, India.
  • Singh S; Department of Chemistry, Shiv Nadar Institution of Eminence, Dadri, Gautam Buddha Nagar, Uttar Pradesh 201314, India.
  • Bononi F; Department of Physics, University of North Texas, Denton, Texas 76203, USA.
  • Andreussi O; Department of Chemistry and Biochemistry, Boise State University, Boise, Idaho 83725, USA.
  • Karmodak N; Department of Chemistry, Shiv Nadar Institution of Eminence, Dadri, Gautam Buddha Nagar, Uttar Pradesh 201314, India.
J Chem Phys ; 159(11)2023 Sep 21.
Article in En | MEDLINE | ID: mdl-37728202
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2023 Type: Article Affiliation country: India
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2023 Type: Article Affiliation country: India