𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of structures and energies of [HCOO]+ and [COOH]+ and their rearrangement

✍ Scribed by J.G. Yu; X.Y. Fu; R.Z. Liu; K. Yamashita; N. Koga; K. Morokuma

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
372 KB
Volume
125
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

1(9)-Homocubene and 9-Homocubylidene: Th
1(9)-Homocubene and 9-Homocubylidene: Theoretical Investigation of Structures, Energies, and Rearrangement Reactions
✍ Dipl.-Chem. Max C. Holthausen; Prof. Dr. Wolfram Koch πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 352 KB

In summary, we have demonstrated the ability to modify the cascade interior at precise depths on the macromolecular framework. Well-conceived cascade construction should allow the covalent incorporation of a variety of metals and nonmetals at predetermined sites provided that dense packing limits ha

A theoretical study of solvation energie
A theoretical study of solvation energies of FCH2COOβˆ’, FCH2COOH, and F2CHCOOβˆ’
✍ Duli C. Jain; Denyse De Gale; Anne-Marie Sapse πŸ“‚ Article πŸ“… 1989 πŸ› John Wiley and Sons 🌐 English βš– 390 KB

A continuum and a discrete-continuum models are used to determine the solvation energies of FCH,COO-, FCH,COOH, and FZCHCOO-. For the anions, the continuum model provides results closer to the experiment, while for the acid, the addition of one water molecule improves the continuum-only energy.

A theoretical study of triatomic carbon-
A theoretical study of triatomic carbon-silicon mixed clusters. Relative energies and binding energies
✍ P.W. Deutsch; L.A. Curtiss πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 387 KB

The Gaussian-2 (G2) theoretical procedure, based on ab initio molecular orbital theory, is used to calculate the energies of mixed triatomic clusters of carbon and silicon. The G2 energies are used to derive accurate binding energies which are compared with experimental values.