Accurate Hydrogen Positions in Organic Crystals: Assessing a Quantum-Chemical Aide
Author:
Affiliation:
1. Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, D-52056 Aachen, Germany
Publisher
American Chemical Society (ACS)
Subject
Condensed Matter Physics,General Materials Science,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/cg201505n
Reference78 articles.
1. Establishment of correlations between the structure and reactivity of molecules in the gas phase based on information theory
2. Solid State Chemistry
3. Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid
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