𝔖 Bobbio Scriptorium
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Potential curves for BLi and BLi+

✍ Scribed by A.V. Nemukhin; J. Almlöf; A. Heiberg


Book ID
103018175
Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
203 KB
Volume
76
Category
Article
ISSN
0009-2614

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✦ Synopsis


The potential curves for the ~'~÷ and t'~H states of BLi and for the 2~* and 21"I states of BLI ~ were calculated with the help of the CAS SCff method. The ~H state was found to be the ground sta*e of BLL The moreeu~e is stable with dissociation energy 0.70 eV.


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Solvent effects on one-bond BLi coupling
✍ Janet E. Del Bene; José Elguero 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 204 KB

## Abstract EOM‐CCSD ^11^B^7^Li coupling constants and B chemical shifts have been computed for Li‐diazaborole and its complexes with one H~2~O or FLi molecule. BLi coupling constants for a model compound H~2~BLi and its complexes with up to 4 H~2~O or FLi molecules have also been obtained in an