𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Investigation of the molecular structure of ethyl and propyl alcohol in the ground electronic state

✍ Scribed by I. I. Ippolitov; Yu. M. Lirmak; A. F. Terpugova; D. E. Chernov


Book ID
112428405
Publisher
Springer
Year
1989
Tongue
English
Weight
358 KB
Volume
32
Category
Article
ISSN
1573-9228

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Electronic structure and bonding in the
✍ P. Scharf; S. Brode; R. Ahlrichs πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 304 KB

Extended basis set calculations have been performed for the ground state of 0.12 using CI(SD) and the coupled pair functional (CPF) method, a size-consistent moditication of CI(SD). Special emphasis is ,&en to the discussion of (lj Scis saturation effects (up to g functions were included). a) effect

Theoretical investigation of the rovibra
✍ Georg Jansen; Bernal A. Hess; Paul E.S. Wormer πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 502 KB

Based on an ab initio potential energy surface for the X 3A" ground state of the Ar-NH van der Waals complex its rovibrational fine-structure spectrum has been calculated. We find four Ar-NH stretching vibrational modes with the NH radical in a nearly unperturbed n-0 rotational state and one vibrati

Electronic structure of molecular comple
✍ J. Lipinski πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science βš– 361 KB

Using a recently modified INDO method the equilibrium intermolecular distance and heats of formation of various types of molecular complexes (CT, HB, CTTS, etc.) have been calculated. The results obtained are in reasonable agreement with available ab initio studies.