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Quantum Chemical Calculations on Novel Molecules from Xenon Insertion into Hydrocarbons

โœ Scribed by Lundell, Jan; Cohen, Arik; Gerber, R. Benny


Book ID
120316936
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
143 KB
Volume
106
Category
Article
ISSN
1089-5639

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Quantum-chemical and empirical calculati
โœ G. Peinel; H. Frischleder; H. Binder ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 496 KB

Using 1-6-12 empirical functions with a solvent-averaged electrostatic contribution qrqj/e (rlj)ร— rtj and electrostatic potentials from CNDO-type wavefunctions, the development of specific interactions of ions visualized by the molecular electrostatic potential of PO4-group containing molecules was