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Adsorption of 1,3,5-Trinitrobenzene on the Siloxane Sites of Clay Minerals: Ab Initio Calculations of Molecular Models

โœ Scribed by Pelmenschikov, Alexander; Leszczynski, Jerzy


Book ID
127075263
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
105 KB
Volume
103
Category
Article
ISSN
0022-3654

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โœ V. Galasso ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 376 KB

The low-lying intmvalence and Rydberg excited states of cyclohepta-lJ,Striene and cycloocta-1,3,5,7-tetraene, accessed by one-and twc-photon absorption, have been investigated at ab initio level by utilizing RPA vertical transition energies and amplitudes. The nature of the first valence-like excite