Extending molecular similarity to energy surfaces: Boltzmann similarity measures and indices

DOI10.1007/BF01165346zbMath0902.62135OpenAlexW2316214696MaRDI QIDQ1381401

Ramon Carbó-Dorca, Emili Besalú

Publication date: 14 December 1998

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/bf01165346

zbMATH Keywords

Boltzmann similarity measuresBSMmolecular energy surfacesmolecular quantum similarity measures

Mathematics Subject Classification ID

Applications of statistics (62P99) Molecular physics (81V55) Statistical aspects of information-theoretic topics (62B10)

Related Items (1)

Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces

Cites Work

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• On quantum molecular similarity measures (QMSM) and indices (QMSI)
• Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation
• Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
• Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas

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