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ONIOM Method with Charge Transfer Corrections (ONIOM-CT): Analytic Gradients and Benchmarking.
Tripathy, Vikrant; Mayhall, Nicholas J; Raghavachari, Krishnan.
Affiliation
  • Tripathy V; Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States.
  • Mayhall NJ; Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States.
  • Raghavachari K; Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States.
J Chem Theory Comput ; 18(10): 6052-6064, 2022 Oct 11.
Article in En | MEDLINE | ID: mdl-36154125
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protons / Quantum Theory Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article Affiliation country: United States Country of publication: United States
Fulltext
Add to My VHL
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PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protons / Quantum Theory Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article Affiliation country: United States Country of publication: United States