Orbital communication theory

Bond Differentiation and Orbital Decoupling in Orbital-Communication Theory... 

R.F. Nalewajski, Multiple, localized and delocalized/conjugated bonds in the orbital-communication theory of molecular systems, Adv. Quant. Chem. 56 (2009) 217. 

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. 

The first chapter reviews information theoretic methods applied to determination of molecular electronic structure in the context of the Orbital Communication Theory of the chemical bond. The molecule is treated as an information network from which structural information can be obtained. The results of probing molecular charges and bond orders using this method are compared with results obtained by more commonly used means. 

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. 

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