Quantum Molecular Similarity. 1. BCP Space
β Scribed by Popelier, P. L. A.
- Book ID
- 118228955
- Publisher
- American Chemical Society
- Year
- 1999
- Tongue
- English
- Weight
- 102 KB
- Volume
- 103
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
## Abstract Computation of density gradient quantum similarity integrals is analyzed, while comparing such integrals with overlap density quantum similarity measures. Gradient quantum similarity corresponds to another kind of numerical similarity assessment between a pair of molecular frames, which
## Abstract This work describes a new procedure to obtain optimal molecular superposition based on quantum similarity (QS): the geometricβquantum similarity molecular superposition (GQSMS) algorithm. It has been inspired by the QS Aufbau principle, already described in a previous work, to build up