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Quantum Molecular Similarity. 1. BCP Space

✍ 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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πŸ“œ SIMILAR VOLUMES


Commentaries on quantum similarity (1):
✍ Ramon CarbΓ³-Dorca; Luz Dary Mercado πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 819 KB

## 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

Communications on quantum similarity, pa
✍ Ramon CarbΓ³-Dorca; Emili BesalΓΊ; Luz Dary Mercado πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 298 KB

## Abstract This work describes a new procedure to obtain optimal molecular superposition based on quantum similarity (QS): the geometric‐quantum similarity molecular superposition (GQSMS) algorithm. It has been inspired by the QS Aufbau principle, already described in a previous work, to build up