𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Structures and energies of the simplest phosphinoyl (H2PO)• and thiophosphinoyl (H2PS)• radicals. An ab initio study

✍ Scribed by Minh Tho Nguyen; H.A. Tae-Kyu

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
767 KB
Volume
131
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An ab initio study of the reaction betwe
An ab initio study of the reaction between FO radicals and H2O
✍ Joseph S. Franciso; Yi Su 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 359 KB

Ab initio calculations are used to examine the energetics for the reaction of FO radicals and H,O. Optimized geometries have been calculated for all reactants, transition states, and products at the unrestricted second-order Msller-Plesset perturbation level of theory. Both Msller-Plesset perturbati

An ab initio study of the formation and
An ab initio study of the formation and structure of H2CN+·N2
✍ Tae-Kyu Ha; Minh Tho Nguyen 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 359 KB

The energy difference between the HzCN\*-N2 comples and its components, H2CN\* 2nd N2. has been ulculated PS 89 and 6-4 kcal/mol by ab initio SW calculations employing the 4-31G and 6-31G\*\* basis sets. These ~AICS agree with the previously estimated heat of formation of 7.65 kul/mol. The reaction