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Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups (2025)

First Author: Sugden I

Attributed to: Molecular Systems Engineering of High-Value Structured and Formulated Products funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1107/s2052520624010072

Publication URI: http://dx.doi.org/10.1107/s2052520624010072

Type: Journal Article/Review

Parent Publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

Issue: 1