An alternative route toward developing basis sets for post-Hartree-Fock calculations, the hybrid bond polarization function method, is investigated. Two new basis sets, denoted 6-31G(d,p)+B and 6-31 + G(d,p)+B, are defined for the first-row hydrides. The dissociation energies of the first-row hydrid
β¦ LIBER β¦
Desolvation effects on the dissociation energy of diatomic molecules:Ab initiostudy of the dissociation of Li-F in polar media
β Scribed by J. Lahsen; A. Toro-Labbe; R. Contreras; A. Aizman
- Publisher
- Springer
- Year
- 1993
- Tongue
- English
- Weight
- 356 KB
- Volume
- 86
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Combined bond polarization function basi
β
J. M. L. Martin; J. P. FranΓ§ois; R. Gijbels
π
Article
π
1989
π
John Wiley and Sons
π
English
β 992 KB
Diatomics-in-molecules potential energy
β
Christian C. Chang; Philip J. Kuntz
π
Article
π
1985
π
Elsevier Science
π
English
β 794 KB
Nonequilibrium vibrational populations o
β
M. Capitelli; M. Dilonardo
π
Article
π
1977
π
Elsevier Science
π
English
β 813 KB
Solvent effects on the dissociation of w
β
Richard A. Butler; Carmen A. Vega; Roger G. Bates
π
Article
π
1980
π
Springer US
π
English
β 473 KB
The reduction of collision induced disso
The reduction of collision induced dissociation effects in thermospray sources on sector instruments
β
Graham Kilpatrick; Ivor A. S. Lewis; John F. Smith
π
Article
π
1987
π
John Wiley and Sons
π
English
β 456 KB
π 1 views
Substituent effects in mass spectrometry
β
F. Benoit
π
Article
π
1972
π
John Wiley and Sons
π
English
β 316 KB
The effect of substituents on the activation energy for primary dissociation processes in the molecular ions of mono-andparu and meta di-substituted benzenes has been examined. Where the daughter ion retains the substituent group, variation of the energy of activation derives from a combination of t