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Orbital Communication

Bond Differentiation and Orbital Decoupling in Orbital-Communication Theory... [Pg.3]

In this formulation of CTCB the off-diagonal orbital communications have been shown to be proportional to the corresponding Wiberg [52] or related quadratic indices of the chemical bond [53-63]. Several illustrative model applications of OCT have been presented recently [38,46-48], covering both the localized bonds in hydrides and multiple bonds in CO and C02, as well as the conjugated n bonds in simple hydrocarbons (allyl, butadiene, and benzene), for which predictions from the one- and two-electron approaches have been compared in these studies the IT bond descriptors have been generated for both the molecule as whole and its constituent fragments. [Pg.5]

Scheme 1.13 The orbital-communication channels for the localized M—La bond in the fixed-input approach, for P = Q = 1/2, and the singly occupied antibonding MO covalent (molecular input Panel a) and ionic (promolecular input Panel b). Scheme 1.13 The orbital-communication channels for the localized M—La bond in the fixed-input approach, for P = Q = 1/2, and the singly occupied antibonding MO covalent (molecular input Panel a) and ionic (promolecular input Panel b).
The OCT has recently been extended to cover many orbital effects in the chemical bond and reactivity phenomena [38, 68-70]. The orbital communications have also been used to study the bridge bond order components [71, 72] and the multiple probability scattering phenomena in the framework of the probability-amplitude channel [73]. The implicit bond-dependency origins of the indirect (bridge) interactions between atomic orbitals in molecules have also been investigated [74],... [Pg.45]

R.F. Nalewajski, Multiple, localized and delocalized/conjugated bonds in the orbital-communication theory of molecular systems, Adv. Quant. Chem. 56 (2009) 217. [Pg.47]

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]

R.F. Nalewajski, Chemical bonds from the through-bridge orbital communications in prototype molecular systems, J. Math. Chem. in press. 49 (2011) 546. [Pg.48]

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. [Pg.389]

Entropic Bond Multiplicities from Orbital Communications.160... [Pg.143]

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]

ENTROPIC BOND MULTIPLICITIES FROM ORBITAL COMMUNICATIONS... [Pg.160]

Vanes were used in the Orbital Communication (ORBCOMM) satellites, which were responsible for handling low data transfer, limiting the communications to non-time sensitive information. These satellites allowed two-way data communication, position determination, emergency alerting, and alphanumeric messaging (Decket, 1994). The design of the satellite was a simple disk with deployable solar panels and antenna (Stoltz et al., 1996). Vanes were used primarily for low thrust station keeping. [Pg.25]


See other pages where Orbital Communication is mentioned: [Pg.2]    [Pg.4]    [Pg.15]    [Pg.99]    [Pg.164]    [Pg.51]   


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