Complete-active-space SCF and multi-reference configuration interaction calculations employing large Gaussian basis sets of the general contraction type have been carried out to determine the equilibrium structures and relative stabilities of the ground electronic state R 'I& of the acetylene cation
β¦ LIBER β¦
Stability of the (H2O)2dimer in the ground and lowest-lying excited electronic states
β Scribed by N. A. Zvereva; M. A. Buldakov; I. I. Ippolitov; A. F. Terpugova
- Book ID
- 112370504
- Publisher
- Springer
- Year
- 1993
- Tongue
- English
- Weight
- 311 KB
- Volume
- 36
- Category
- Article
- ISSN
- 1573-9228
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
A CASSCF-CI study of the ground and low-
β
Wolfgang P. Kraemer; Wolfram Koch
π
Article
π
1993
π
Elsevier Science
π
English
β 578 KB
On the Electronic Structure of NLi 2 and
β
Tzeli, Demeter; Papakondylis, Aristotle; Mavridis, Aristides
π
Article
π
1998
π
American Chemical Society
π
English
β 218 KB
Ab initiostudy of the structure of 2,2-d
β
V. A. Bataev; E. K. Dolgov; A. V. Abramenkov; G. M. Kuramshina; I. A. Godunov
π
Article
π
2000
π
Springer
π
English
β 512 KB
The ground and low-lying excited states
β
Charles W. Bauschlicher Jr.
π
Article
π
1993
π
Elsevier Science
π
English
β 343 KB
The ground state and low-lying states of MgH: are studied at the complete-active-space self-consistent-field and multireference configuration-interaction levels of theory. The binding energies of the \*I& and 2B2 states (relative to their asymptote) are significantly larger than that of the \*A, gro
Theoretical study of molecular propertie
β
PΓ‘lenΓkovΓ‘, Jana; Kraus, Michal; NeogrΓ‘dy, Pavel; KellΓΆ, Vladimir; Urban, Mirosl
π
Article
π
2008
π
Taylor and Francis Group
π
English
β 175 KB
The Electronic Structure of ScAl + . Gro
β
Tzeli, Demeter; Mavridis, Aristides
π
Article
π
2000
π
American Chemical Society
π
English
β 253 KB