Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations.
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| Title: | Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations. |
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| Authors: | Kubas, Adam1, Hoffmann, Felix1,2, Heck, Alexander3, Oberhofer, Harald4, Elstner, Marcus3, Blumberger, Jochen1 j.blumberger@ucl.ac.uk |
| Source: | Journal of Chemical Physics. 3/14/2014, Vol. 140 Issue 10, p1-21. 21p. 3 Diagrams, 12 Charts, 5 Graphs. |
| Database: | Academic Search Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: asn DbLabel: Academic Search Ultimate An: 109413787 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=109413787 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1063/1.4867077 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 21 StartPage: 1 Titles: – TitleFull: Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Kubas, Adam – PersonEntity: Name: NameFull: Hoffmann, Felix – PersonEntity: Name: NameFull: Heck, Alexander – PersonEntity: Name: NameFull: Oberhofer, Harald – PersonEntity: Name: NameFull: Elstner, Marcus – PersonEntity: Name: NameFull: Blumberger, Jochen IsPartOfRelationships: – BibEntity: Dates: – D: 14 M: 03 Text: 3/14/2014 Type: published Y: 2014 Identifiers: – Type: issn-print Value: 00219606 Numbering: – Type: volume Value: 140 – Type: issue Value: 10 Titles: – TitleFull: Journal of Chemical Physics Type: main |
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