Molekulare Information eines anorganischen Systems Ionengitter‐Oberfläche/adsorbierte Metall‐Ionen

Rackow, Bogislav

doi:10.1002/zfch.19690090829

Cited by 3 publications

(1 citation statement)

References 2 publications

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“…Kobozev et al [28] formulated information conditions for characterization and prediction of catalyst properties. An information theoretic analysis has also been made of the treatment of surfaces with different chemical reagents [29].…”

Section: Introductionmentioning

confidence: 99%

Chemical information theory: Structural aspects

Bonchev¹,

Trinajstić

2009

Int. J. Quantum Chem.

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Information is a concept of no less importance than matter or energy. Information has been described as a measure of the variety in a given system. We review several of the indices of molecular information, including those indices related to molecular composition, molecular symmetry, graph automorphism, graph coloring, and connectivity as measured by adjacency, path lengths, and cyclicity. Electronic information indices include those related to the division of electronic structures into u and ?r bond spaces, core and valence spaces, and lone pair, bond pair, or molecular fragment spaces. General molecular information indices have been formed by combining two or more specific indices. Information theoretic indices haye been supplied to problems of isomer discrimination, classification of molecular complexity, and structure-property and structure-activity correlations. The potential for further applications is great.

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Section: Introductionmentioning

confidence: 99%