✦ LIBER ✦
Ab initio electric field gradient calculations for a series of oxygen-containing boron compounds
✍ Scribed by Michael Gajhede
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 392 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Ah inilio Hnnree-Fock calculaions or the elearic lield gradienl lensor a the double-zeta level are reporled for orlhoboric acid. orlhoboric acid dimer. the 1eIraborsIe anion and metaboric acid. For orthoboric acid. CI calculations with an exlended basis SCI have been perronnrd LO invesrignIe polarisarion and correlation eKeas_ Calculations 31 the double-zela level show ths bcsl agreement with experimenl.