𝔖 Bobbio Scriptorium
✦   LIBER   ✦

AB initio calculations on the equilibruim geometry and rotation barriers in biphenyl

✍ Scribed by Jan Almlöf


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
375 KB
Volume
6
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio calculations of the rotational
✍ Joseph J. BelBruno 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 377 KB 👁 2 views

The heights of the rotational barn-ers of the diselenide bridge in dimethyl diselenide have been calculated at the Hartree-Fock level with the 3-21G basis set. The minimum in the rotational potential energy function occurs at a torsional angle of 85.64". The bam'ers were determined by complete geome

Ab initio calculations of the rotational
✍ James M. Howell 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 445 KB

The nature of the rotational barrier in substituted phosphoranes has been investigated by ab initio calculations of P&NH2 using gaussian expansions of Slater orbitals. The conformation with the amino group's lone pair lying in the equatorial plane of the phosphorsne system was favored by 2 1.0 kcall

Raman and infrared spectra, barriers to
✍ J. R. Durig; H. Nanaie; G. A. Guirgis 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 973 KB

## Abstract The Raman (3500‐20 cm^−1^) and infrared (3500‐50 cm^−1^) spectra of gaseous and solid 2‐fluoropropane, (CH~3~)~2~CFH, the corresponding trideuterated molecule, (CH~3~)(CD~3~)CFH, and heptadeuterated species, (CD~3~)~2~CFD, were recorded. Additionally, the Raman spectra of the pure liqui