๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Theoretical study of the stable C2 and Cs symmetry isomers of urea

โœ Scribed by M. Spoliti; A. Pieretti; L. Bencivenni; N. Sanna

Book ID
112083115
Publisher
John Wiley and Sons
Year
1997
Weight
133 KB
Volume
2
Category
Article
ISSN
1082-4928

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

The electronic structure and vibrational
The electronic structure and vibrational frequencies of the stable C76 isomer of D2 symmetry
โœ Giorgio Orlandi; Francesco Zerbetto; Patrick W. Fowler; David E. Manolopoulos ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 458 KB

We report QCFF/PI quantum chemical calculations of the molecular structure, the vibrational frequencies, and the energy ordering of the states at the onset of the electronic spectrum of the Clb isomer of Dz symmetry. Comparison is made with the limited amount of experimental data available.

Theoretical studies of selected C60H2 an
Theoretical studies of selected C60H2 and C70H2 isomers
โœ Craig C. Henderson; Celeste McMichael Rohlfing; Paul A. Cahill ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 467 KB

Semi-empirical UNDO methods predict that 2 of 23 structurally distinct C6& isomers and 4 of 143 C7uH2 isomers have particularly low heats of formation. These isomers represent either 1 ,t-addition across a 6: 6-ring fusion or 1,4-addition across a ii-ring, with both hydrogens externally bound. Fully