Molsimil - 88: Molecular similarity calculations using a CNDO-like approximation
Author:
Publisher
Elsevier BV
Subject
General Physics and Astronomy,Hardware and Architecture
Reference12 articles.
1. Ariadne-88: An ab initio monoconfigurational closed and open shell direct electronic energy calculation using elementary Jacobi rotations
2. Pattern recognition in molecular quantum mechanics
3. How similar is a molecule to another? An electron density measure of similarity between two molecular structures
4. LCAO-MOsimilarity measures and taxonomy
5. Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
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