Knowledge-Based Optimization of Molecular Geometries Using Crystal Structures
Author:
Affiliation:
1. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5b00712
Reference25 articles.
1. The Cambridge Structural Database: a quarter of a million crystal structures and rising
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5. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
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