๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Theoretical studies of interstellar radicals and ions

โœ Scribed by Wilson, Stephen


Book ID
126985775
Publisher
American Chemical Society
Year
1980
Tongue
English
Weight
667 KB
Volume
80
Category
Article
ISSN
0009-2665

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Theoretical study of spin interactions i
โœ S. Ramasesha; Bhabadyuti Sinha ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 511 KB

The search for organic ferromagnets has so far focused on radical ions of cyclic conjugated systems which have a doubly degenerate highest-occupied molecular orbital. However, recent theoretical studies on dimers of such systems have shown that the ground state is a singlet and not a triplet as expe

High-spin ion radicals of polyenes and p
โœ K. Yamaguchi; M. Okumura; J. Maki; T. Noro ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 583 KB

Ab initio and semiempirical molecular orbital calculations have been carried out for model compounds of the high-spin ion radicalsofpoly(m-phenyleneoctatetraene) derivatives. The calculated results areconsistent with previous experiments. The computations have also been performed for high-spin ion

Theoretical studies of the new radicals
โœ Kangnian Fan; Suehiro Iwata ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 608 KB

Geometry optimization and harmonic vibrational analysis were carried out for new radicals, SiNNH and SiCOH, as well as their isomers, HSiNN and HSiCO, at several levels of ab initio SCF calculations (ROHF, UHF and MCSCF) with the 6-3 1G' basis set. To examine the effects of electron correlation on t