Entropic bond descriptors from separated output-reduced communication channels in atomic orbital resolution
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Publication:631460
DOI10.1007/s10910-010-9763-6zbMath1207.92058MaRDI QIDQ631460
Dariusz Szczepanik, Janusz Mrozek
Publication date: 14 March 2011
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-010-9763-6
92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
92-08: Computational methods for problems pertaining to biology
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Cites Work
- Entropy/information bond indices of molecular fragments
- Additive and non-additive information channels in orbital communication theory of the chemical bond
- Entropic bond indices from molecular information channels in orbital resolution: ground-state systems
- EVALUATING THE NATURE OF CHEMICAL BONDS BASED ON PROBABILISTIC MODELS