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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| ISSN: | 20525192 |
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| DOI: | 10.1107/S2052520624010072 |