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On quantum molecular similarity measures (QMSM) and indices (QMSI)

✍ Scribed by R. Carbó; E. Besalú; Ll. Amat; X. Fradera

Book ID
105102174
Publisher
Springer
Year
1996
Tongue
English
Weight
646 KB
Volume
19
Category
Article
ISSN
0259-9791

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📜 SIMILAR VOLUMES

Communications on quantum similarity (2)
Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures
✍ R. Carbó-Dorca; E. Besalú 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 151 KB

## Abstract The so‐called holographic electron density theorem (HEDT) is analyzed from an algebraic perspective, and a brief analytical point of view is also given. The connection of the HEDT with quantum similarity measures (QSM) over electronic density functions (DF) is studied using GTO function

Communications on quantum similarity, pa
Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm
✍ Ramon Carbó-Dorca; Emili Besalú; Luz Dary Mercado 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 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