𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio molecular orbital calculations on some selected boron(I) hydrides

✍ Scribed by R. Daudel; C. Kozmutza; J.D. Goddard; I.G. Csizmadia


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
447 KB
Volume
50
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio molecular orbital calculations
✍ O.P. Strausz; R.K. Gosavi; H.E. Gunning πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science 🌐 English βš– 322 KB

Ab initlo double zeta quality SCF MO calculations were carried out on the total energies of the lowest singlet states of oviranylidene and ethynol with full geometrical optimization. The lowest energy paths and energy barrters for the isomertzation of oxiranylidene to ketene and to formylmethylene w

A further study on closo boron hydrides
✍ Xin-Tian Jiang; Xu-Guang Hu; Yu-Min Cai; Qian-Shu Li πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 278 KB

an, Shanzi 71 0061, China 4Sch001 of Chemical Enginemng and M a t e d Science, Beijing Institute of Technology, Beijing 100081, China Abtract A6 mnmt w molecular orbital calculations of doubly negative charged Bl~H:~!D~) and neutral BitjHie(Td) have been done at the HF/631G level. They are predicted