The interaction between nitrate anion and water has been investigated Ε½ . by HartreeαFock calculations with the 6-311 q G d, p basis set and by B3LYP density functional calculations with the aug-cc-pVTZ basis set. It is found that the global energy minimum is a planar configuration where both hydrog
β¦ LIBER β¦
A quantum-chemical study of the interaction of the water molecule with silver iodide surface clusters
β Scribed by V.B. Volkov; D.A. Zhogolev; R.A. Bakhanova; V.J. Kiselev
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 398 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
The interaction between a water molecule and silver iodide clusters has been studied by means of the CNOO method. Two different adsorption forms obtained, one of which may initiate ice nucleation. The formation of a six-membered water molcculc ring above the surface requires less energy than its formation in the gaseous phase.
π SIMILAR VOLUMES
Quantum chemical study of the interactio
β
Christoph Ebner; Roland Sansone; Michael Probst
π
Article
π
1998
π
John Wiley and Sons
π
English
β 425 KB
π 1 views
A Quantum Chemical Study of the Catalysi
β
Toshiaki Matsubara; Masashi Ishikura; Misako Aida
π
Article
π
2006
π
John Wiley and Sons
β 8 KB
π 1 views
Quantum chemical study of the adsorption
β
Renat R. Nazmutdinov; M. Probst; K. Heinzinger
π
Article
π
1994
π
Elsevier
π
English
β 556 KB
Immersion calorimetry studies of the int
β
G.J Young; T.P Bursh
π
Article
π
1960
π
Elsevier Science
β 479 KB
An ab initio study of the interaction of
β
J.A. Garrido; F. Illas; J.M. Ricart; J. Rubio
π
Article
π
1985
π
Elsevier Science
β 646 KB
The electron stimulated interaction of w
β
SL Bennett; EM Williams
π
Article
π
1988
π
Elsevier Science
π
English
β 563 KB