𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Electric field dependence of the diabatic potential energy surface for gas-phase electron transfer O2O2− → O2−O2

✍ Scribed by Xiang-Yuan Li; An-Min Tian; Fu-Cheng He; Guo-Sen Yan


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
270 KB
Volume
233
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Stationary points on the potential energ
✍ Jesus P. Lopez 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 674 KB

The determination of minima and saddle points on the potential energy surfaces of the hydrogen bonded species 02-HF and 0,-H20 is performed with unrestricted Hartree-Fock calculations. Geometries, electron density distributions, and relative energies for every stationary point are reported. Only one

Potential energy surface of the Al+ (H2O
✍ Jan Hrušák; Detlef Stöckigt; Helmut Schwarz 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 393 KB

The reaction of 'bare' Al+ with water has been examined by ab initio MP2 and QCISD (T ) methods. The Al( Hz0 ) + adduct is found to correspond to the global minimum with a bond dissociation energy of BDE = 28.8 kcal/mol. The inserted HAlOH+ isomer is less stable by 8.6 kcal/mol. Both isomers are sep

Kinetic energy dependence of the total s
✍ C.-Y. Lee; A.E. Depristo; C.-L. Liao; C.-X. Liao; C.Y. Ng 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 298 KB

We report the first experimental and theoretical observation of a broad peak in the kinetic energy dependence of the total cross sections for the title reaction with v~ = 0 and 1, in the laboratory collision energy range of 8-400 eV. A theoretical analysis reveals that the peak in the total cross se

Characterization of the potential energy
✍ Stephen P. Walch 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 462 KB

Complete active space SCF/intemally contracted configuration interaction calculations using large atomic natural orbital basis sets are reported for CHS + Oz. Two potential energy surfaces are found to be important in the CH, + O2 reaction. In C. symmetry, the lower zA" surface correlates with CHs +