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Electrons hydrogen atom and

Anbar, M. and Neta, P. (1967). A compilation of specific biomolecular rate constants for the reaction of hydrated electrons, hydrogen atoms and hydroxyl radicals with inorganic and organic compounds in aqueous solutions. Int. J. Appl. Radiat. Isot. 18, 493-497. [Pg.19]

Buxton, G. V., Greenstock, G. L., Helman, W. P., Ross, A. B. (1988) Critical review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals in aqueous solutions. J. Phys. Chem. Ref. Data 17, 513-886. [Pg.50]

Basis sets for use in practical Hartree-Fock, density functional, Moller-Plesset and configuration interaction calculations make use of Gaussian-type functions. Gaussian functions are closely related to exponential functions, which are of the form of exact solutions to the one-electron hydrogen atom, and comprise a polynomial in the Cartesian coordinates (x, y, z) followed by an exponential in r. Several series of Gaussian basis sets now have received widespread use and are thoroughly documented. A summary of all electron basis sets available in Spartan is provided in Table 3-1. Except for STO-3G and 3 -21G, any of these basis sets can be supplemented with additional polarization functions and/or with diffuse functions. It should be noted that minimal (STO-3G) and split-valence (3-2IG) basis sets, which lack polarization functions, are unsuitable for use with correlated models, in particular density functional, configuration interaction and Moller-Plesset models. Discussion is provided in Section II. [Pg.40]

Buxton GV, Greenstock C L, Helman WP, Ross A B (1988) Critical Review of Rate Constants for Oxidation of Hydrated Electrons, Hydrogen Atoms and Hydroxyl Radicals (0H°/0° ) in Aqueous Solutions, Journal of Physical and Chemical Reference Data 17 513-886. [Pg.19]

Michael BD, Hart EJ. The rate constants of hydrated electron, hydrogen atom, and hydroxyl radical reactions with benzene, 1,3-cyclohexadiene, 1,4-cyclo-hexadiene, and cyclohexene. J Phys Chem 1970 74 2878-2884. [Pg.345]


See other pages where Electrons hydrogen atom and is mentioned: [Pg.11]    [Pg.406]    [Pg.257]    [Pg.135]    [Pg.14]   
See also in sourсe #XX -- [ Pg.109 , Pg.110 , Pg.111 , Pg.112 , Pg.113 , Pg.114 , Pg.115 , Pg.116 , Pg.117 , Pg.118 ]




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