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Balancing Exchange Mixing in Density-Functional Approximations for Iron Porphyrin.
Berryman, Victoria E J; Boyd, Russell J; Johnson, Erin R.
Affiliation
  • Berryman VE; Department of Chemistry, Dalhousie University , 6274 Coburg Road, Halifax, Nova Scotia Canada , B3H 4R2.
  • Boyd RJ; Department of Chemistry, Dalhousie University , 6274 Coburg Road, Halifax, Nova Scotia Canada , B3H 4R2.
  • Johnson ER; Department of Chemistry, Dalhousie University , 6274 Coburg Road, Halifax, Nova Scotia Canada , B3H 4R2.
J Chem Theory Comput ; 11(7): 3022-8, 2015 Jul 14.
Article in En | MEDLINE | ID: mdl-26575739
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quantum Theory / Iron / Metalloporphyrins Language: En Journal: J Chem Theory Comput Year: 2015 Document type: Article Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quantum Theory / Iron / Metalloporphyrins Language: En Journal: J Chem Theory Comput Year: 2015 Document type: Article Country of publication: United States