๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Ab Initio MO calculations on the stable structures and binding energies of X+-CO and X+-N2 ions (X = H, Li, Na and K)

โœ Scribed by Shigeru Ikuta

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
304 KB
Volume
109
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Ab initio calculations on the clustering
Ab initio calculations on the clustering energies and stable structures of H(M)+ + M โ†’ H(M)2+ (M = CO and N2)
โœ Shigeru Ikuta ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 292 KB

The clustcrmg energcs of the reactlons, H(M)'+ 11 -H(U): (Xl = CO and Nz), were cnlculntcd by nb lnltlo smgle configuration LCAO SCF MO and SCEP methods The calculated energws axe III good agreement wtth the experImental enthalpies

Ab initio theoretical study of the elect
Ab initio theoretical study of the electronic structure, stability and bonding of MXYโˆ’ ions (M = H, Li, Na; X, Y= F, C1)
โœ A.B. Sannigrahi; T. Kar; P.K. Nandi ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 510 KB

Equilibrium structural parameters and dissociation energies of the bihalide ions, MXY-(M = H, Li, Na; X, Y = F, C1) have been calculated at the HF and post-HF (MPn) levels using 6-31 + G\* and 6-311 + G\* basis sets. All the species are predicted to be linear, and the calculated quantities are in go