✦ LIBER ✦
Stretching force constants and derivatives of the dipole moment of the F-HNCH hydrogen-bonded complex. Preliminary results at the SCF level
✍ Scribed by Y. Bouteiller; M. Allavena; J.M. Leclercq
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 213 KB
- Volume
- 84
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Recewed 27 July 1981 Quadratic. cubic and quartic force constants assocmted v&h the proton bridge of F-H ..NCH. and derivatwes, up to thud order, of the electric &pole moment have been computed at the SCF level. 6-31 spht-valence and 00~6~) Dunning basis sets have been used to mvestigate the related twodimenslonal surfaces. The UFH and the vFH_ N modes have been reconstrutted