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Orbital-communication theory entropy

R.F. Nalewajski, Many-orbital probabilities and their entropy/information descriptors in orbital communication theory of the chemical bond, J. Math. Chem. 47 (2010) 692. [Pg.48]

Entropic probes of molecular electronic structure have provided attractive tools for describing the chemical bond phenomenon in information terms. It is the main purpose of this survey to summarize alternative local entropy/information probes of molecular electronic structure, explore the information origins of chemical bonds, and present recent developments in orbital communication theory (OCT) [11,12,46,54-57]. The importance of nonadditive effects in the chemical bond phenomenon will be emphasized, and the information cascade (bridge) propagation of electronic probabilities in molecular information systems, which generate indirect bond contributions due to orbital intermediaries [58-62], will be examined. [Pg.144]

The Communication Theory of the Chemical Bond (CTCB) has been developed using the basic entropy/information descriptors of molecular information (communication) charmels in the AIM, orbital and local resolutions of the electron probability distributirms [9-11, 33-48]. The same bond descriptors have been used to provide the information-scattering perspective on the intermediate stages in the electron redistribution processes [49], including the atom promotion via the orbital hybridization [50], and the communication theory for the excited electron configurations has been developed [51]. Moreover, a phenomenological treatment of equilibria in molecular subsystems has been proposed [9,52-54], which formally resembles the ordinary thermodynamic description. [Pg.53]


See other pages where Orbital-communication theory entropy is mentioned: [Pg.51]    [Pg.2]    [Pg.144]   
See also in sourсe #XX -- [ Pg.28 ]




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