𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum chemical study of the nature of the interaction between the proton and phosphoryl compounds in the H+...OPX3complex

✍ Scribed by S. N. Slabzhennikov; L. N. Alekseiko; E. I. Matrosov

Book ID
112423972
Publisher
Springer
Year
1992
Tongue
English
Weight
365 KB
Volume
41
Category
Article
ISSN
1573-9171

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Quantum dynamics of proton transfer in t
Quantum dynamics of proton transfer in the H3O+ξ—ΈH2O complex
✍ A. Lami; G. Villani πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 500 KB

We have studied the quantum dynamics of proton transfer in the hydrogen-bonded complex HaOf-Ha0 using a previously computed three-dimensional potential energy surface. The two coordinates considered are the distance of the hydrogen atom from the O-O midpoint and the O-O distance, for a linear O-H-O