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Structure of the Photodissociation Products of CCl 4 , CBr 4 , and CI 4 in Solution Studied by DFT and ab Initio Calculations

✍ Scribed by Kong, Qingyu; Wulff, Michael; Bratos, Savo; Vuilleumier, Rodolphe; Kim, Joonghan; Ihee, Hyotcherl


Book ID
121493647
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
235 KB
Volume
110
Category
Article
ISSN
1089-5639

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The nuclear quadrupole coupling constant
✍ P.J. Merkling; M.D. Zeidler; P.A. Bopp πŸ“‚ Article πŸ“… 2000 πŸ› Elsevier Science 🌐 English βš– 756 KB

The deuterium nuclear quadrupole coupling constant (QCC) has recently been measured for the hydroxy-D in methanol-CCl4 mixtures of various compositions. The QCC which is strongly sensitive to the local environment of a molecule can also be calculated. For this purpose we have performed a series of m