Molsimil - 88: Molecular similarity calculations using a CNDO-like approximation

Computer Physics Communications

Volumn 55, Issue 1, 1989, Pages 117-126

  Carbó, Ramon ^a   Calabuig, Blanca ^a  

^a UNIVERSITY OF GIRONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 45349111551     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/0010-4655(89)90070-2     Document Type: Article

References (12)

1. Ariadne-88: An ab initio monoconfigurational closed and open shell direct electronic energy calculation using elementary Jacobi rotations
2. How similar is a molecule to another? An electron density measure of similarity between two molecular structures
3. LCAO-MO similarity measures and taxonomy
4. 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
5. Electrostatic potential comparison and molecular metric spaces
6. Molecular integrals of relativistic effects with gaussian-type orbitals