𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of ion transfer in (H2CoHOCH2)+ and (H2COLiOCH2)+

✍ Scribed by Chih-Hung Chu; Jia-Jen Ho


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
759 KB
Volume
221
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Electronic and geometrical structure of
✍ Fabien Gatti; Nathalie Berthe-Gaujac; Isabelle Demachy; François Volatron 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 421 KB

The structure of the diboroxane H2B-O-BH2 has been studied by means of ab initio calculations at the MP4/6-311G\*\*// MP2/6-31 IG\*\* level. Two minima have been characterized on the potential energy surface (PES): one is of DEd symmetry, analogous to the isoelectronic allene molecule, and the other

Study of the system CaOSiO2CO2H2O in
✍ I. Kaprálik; L. Števula; J. Petrovič; F. Hanic 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 368 KB

Hydrothermal studies showed the location of scawtite in the narrow internal tetrahedron foshagite-xonotlite-CO2-H20 of the system CaO-SiO2-C02-H20 and its compatibility with the calcium silicate hydrates in the 4-phase assemblages. The phase assemblages in this region involve scawtite, foshagite, xo

A G1 ab initio MO study of the distonic
✍ A. Luna; O. Mó; M. Yáñez 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 398 KB

Ab initio molecular orbital calculations at the Gl level have been used to examine the structure and relative stabilities of the H#ZOSi+ molecular ions. Our results show that the two most stable species correspond to a distonic and to a non-d&tonic ion, the former being 6.7 kcal/mol more stable than

Classical trajectory study of rotational
✍ Stuart D. Augustin; William H. Miller 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 385 KB

Classical trajectory calculations for the rotational excitation'of CO and Hz by collision &ith He have been carried out and compared to the accurate qu&~m mechanics1 cfculations of other workers The grecment is rasonably encourngig, although some irther&t limitations of this strictly classical appro