Quantum similarity measures and L�wdin's transform for approximate density matrices and macromolecular forces
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference54 articles.
1. How similar is a molecule to another? An electron density measure of similarity between two molecular structures
2. and in Medicinal Chemistry Advances and Eds. Pergamon Press, Oxford, (1981).
3. Electrostatic potential comparison and molecular metric spaces
4. LCAO-MOsimilarity measures and taxonomy
5. Molsimil - 88: Molecular similarity calculations using a CNDO-like approximation
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