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10.1038/s41598-017-02447-z http://scihub22266oqcxt.onion/10.1038/s41598-017-02447-z C5440380!5440380!28533506     free     free     free       Sci+Rep 2017 ; 7 (ä): ä Nephropedia Template TP {{tp|p=28533506|t=2017. The correlation theory of the chemical bond |pdf=|usr=}}{{28533506}} gab.com Text The correlation theory of the chemical bond JO: Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28533506 #FOAvip The quantum mechanical description of the chemical bond is generally given in terms of delocalized bonding orbitals, or, alternatively, in terms of correlations of occupations of localised orbitals. However, in the latter case, multiorbital correlations were treated only in terms of two-orbital correlations, although the structure of multiorbital correlations is far richer; and, in the case of bonds established by more than two electrons, multiorbital correlations represent a more natural point of view. Here, for the first time, we introduce the true multiorbital correlation theory, consisting of a framework for handling the structure of multiorbital correlations, a toolbox of true multiorbital correlation measures, and the formulation of the multiorbital correlation clustering, together with an algorithm for obtaining that. These make it possible to characterise quantitatively, how well a bonding picture describes the chemical system. As proof of concept, we apply the theory for the investigation of the bond structures of several molecules. We show that the non-existence of well-defined multiorbital correlation clustering provides a reason for debated bonding picture. Twit Text FOAVip The correlation theory of the chemical bond ????Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28533506 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=28533506 #FOAvip English Wikipedia <ref>{{Cite pmid|28533506}}</ref> The correlation theory of the chemical bond #MMPMID28533506 Szalay S; Barcza G; Szilvási T; Veis L; Legeza Ö Sci Rep 2017[]; 7 (ä): ä PMID28533506show ga The quantum mechanical description of the chemical bond is generally given in terms of delocalized bonding orbitals, or, alternatively, in terms of correlations of occupations of localised orbitals. However, in the latter case, multiorbital correlations were treated only in terms of two-orbital correlations, although the structure of multiorbital correlations is far richer; and, in the case of bonds established by more than two electrons, multiorbital correlations represent a more natural point of view. Here, for the first time, we introduce the true multiorbital correlation theory, consisting of a framework for handling the structure of multiorbital correlations, a toolbox of true multiorbital correlation measures, and the formulation of the multiorbital correlation clustering, together with an algorithm for obtaining that. These make it possible to characterise quantitatively, how well a bonding picture describes the chemical system. As proof of concept, we apply the theory for the investigation of the bond structures of several molecules. We show that the non-existence of well-defined multiorbital correlation clustering provides a reason for debated bonding picture. äThe correlation theory of the chemical bond (epmc).pdf DeepDyve Pubget Overpricing