𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the CICS2 adduct

✍ Scribed by Michael L. McKee


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
457 KB
Volume
209
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Theoretical study of ScCO2+
✍ Mariona Sodupe; VicenΓ§ Branchadell; Antonio Oliva; Juan Bertran πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 165 KB πŸ‘ 2 views

The structure, binding energy, and vibrational frequencies have been determined for ScCO q . The inserted OSc q CO structure in the 1 AЈ state is the most stable 2 isomer and lies 43.2 kcalrmol below the ground-state Sc q q CO asymptote. The linear 2 1 -O Sc q -OCO 3 ⌬ state is bound by a charge᎐qua

Theoretical study of a silylene-oxygen a
✍ Shigeru Nagase; Takako Kudo; Takeshi Akasaka; Wataru Ando πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 539 KB

In an attempt to reinforce our recent experiments on silylene-oxygen adducts, the structure and kinetic stability of silanone oxide (H2SiOO) in the singlet state have been investigated at several levels of theory. It is found that &none oxide has a nonplanar, pyramidal structure and undergoes rapid

Theoretical study of I2O
✍ Igor Novak πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 107 KB πŸ‘ 2 views

We present high-level density functional calculations (DFT) on the unknown I 2 O molecule. The results suggest that the compound may be sufficiently stable for detection and synthesis. Our results also suggest that the DFT method is a reliable and computationally cheap alternative to G2, for estimat

A theoretical study of SiC2+
✍ J.R. Flores; A. Largo-Cabrerizo; J. Largo-Cabrerizo πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 371 KB

An ab initio study at the Hartree-Fock level has been carried out to determine the structure of linear and cyclic Sic:. Fourthorder Msller-Plesset perturbation theory reveals that the cyclic isomer ( Czv symmetry) is the most stable, with a \*A, ground state. Vibrational analysis at the Hartree-Fock