𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Potential energy curves for diatomic molecules calculated with numerical basis functions

✍ Scribed by Tapio T. Rantala; Bo Wästberg; Arne Rosén

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
675 KB
Volume
109
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The generalized potential energy functio
The generalized potential energy function for diatomic molecules
✍ A.A. Šurkus; R.J. Rakauskas; A.B. Bolotin 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 326 KB

A new generalized potential energy function is suggested for dlatomic moleculer The Dunham. Simons-Parr-Ftilan, Thakkar and Ogilvie potenrials are shown to be particular cases of the generalized potential energy funcrion. II is also shown that the functron suggested may reproduce the path of the pot

Calculation of bond dissociation energie
Calculation of bond dissociation energies of diatomic molecules using bond function basis sets with counterpoise corrections
✍ Zhiru Li; Fu-Ming Tao; Yuh-Kang Pan 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 439 KB

## m Bond function basis sets combined with the counterpoise procedure are used to calculate the molecular dissociation energies D,, of 24 diatomic molecules and ions. The calculated values of D,, are compared to those without bond functions and/or counterpoise corrections. The equilibrium bond le