Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups.
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| Title: | Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups. |
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| Authors: | Sugden, Isaac J.1 (AUTHOR), Bowskill, David H.1 (AUTHOR), Tan, Benjamin I.1 (AUTHOR), Zhang, Yizu1 (AUTHOR), Adjiman, Claire S.1 (AUTHOR) c.adjiman@imperial.ac.uk, Pantelides, Constantinos C.1 (AUTHOR) |
| Source: | Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Feb2025, Vol. 81 Issue 1, p114-127. 14p. |
| Database: | Academic Search Ultimate |
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| FullText | Links: – Type: pdflink Text: Availability: 1 |
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| Header | DbId: asn DbLabel: Academic Search Ultimate An: 183918005 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=183918005 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1107/S2052520624010072 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 14 StartPage: 114 Titles: – TitleFull: Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Sugden, Isaac J. – PersonEntity: Name: NameFull: Bowskill, David H. – PersonEntity: Name: NameFull: Tan, Benjamin I. – PersonEntity: Name: NameFull: Zhang, Yizu – PersonEntity: Name: NameFull: Adjiman, Claire S. – PersonEntity: Name: NameFull: Pantelides, Constantinos C. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 02 Text: Feb2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 20525192 Numbering: – Type: volume Value: 81 – Type: issue Value: 1 Titles: – TitleFull: Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials Type: main |
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