Entropic bond descriptors from separated output-reduced communication channels in atomic orbital resolution
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Publication:631460
DOI10.1007/s10910-010-9763-6zbMath1207.92058OpenAlexW2000910378MaRDI 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
Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)
Related Items (4)
An analysis of the torquoselectivity effect in a ring-opening reaction through Fermi-Dirac's entropy: revealing the origin of the stereoselectivity. ⋮ An approach to chemical hardness through Shannon's entropy ⋮ On the information obtained using Shannon's entropy through spin density ⋮ A close-up to the bond-breaking and bond-forming using information theory
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
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