Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups.

Saved in:
Bibliographic Details
Title: Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups.
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
Full text is not displayed to guests.
Description
ISSN:20525192
DOI:10.1107/S2052520624010072