Literature DB >> 31433068

Divagations about the periodic table: Boolean hypercube and quantum similarity connections.

Ramon Carbó-Dorca1, Tanmoy Chakraborty2.   

Abstract

In this study, several simple aspects associated with the periodic table (PT) of the elements are commented. First, the connection of the PT with the structure of a seven-dimensional Boolean hypercube leads afterward to discuss the nature of those PT elements bearing prime atomic numbers. Second, the use of quantum similarity (QS) to obtain an alternative insight on the PT element relations will be also developed. The foundation of the second part starts admitting that any element of the PT can be attached to a schematic electronic density function, constructed with a single Gaussian function: a Gaussian atomic density function, allowing to consider the PT elements as a set of quantum objects, and permits a straightforward construction of a QS matrix. Such QS scheme can be applied to the whole PT or to any subset of it. Manipulation of the QS matrices attached to any quantum object set allows the evaluation of statistical-like values, acting as coordinates to numerically or graphically represent the chosen PT atomic element sets.
© 2019 Wiley Periodicals, Inc. © 2019 Wiley Periodicals, Inc.

Entities:  

Keywords:  Gaussian atomic density functions; PT as a seven-dimensional hypercube; atomic QS matrix; atomic QS statistical-like parameters; graphical representation of PT atomic sets; periodic table (PT) of the elements; prime atomic numbers; quantum similarity (QS); simplified atomic QS

Year:  2019        PMID: 31433068     DOI: 10.1002/jcc.26044

Source DB:  PubMed          Journal:  J Comput Chem        ISSN: 0192-8651            Impact factor:   3.376


  1 in total

1.  The sequence of amino acids as the basis for the model of biological activity of peptides.

Authors:  Alla P Toropova; Maria Raškova; Ivan Raška; Andrey A Toropov
Journal:  Theor Chem Acc       Date:  2021-01-22       Impact factor: 1.702

  1 in total

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