On the Applicability of Mathematical Constants and Sequences in Intermolecular Potential Energy Functions
β Scribed by Teik-Cheng Lim
- Publisher
- Springer
- Year
- 2006
- Tongue
- English
- Weight
- 133 KB
- Volume
- 41
- Category
- Article
- ISSN
- 0259-9791
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Through the use of the second virial coefficient data, optimized parameters and exponents of the Mie (n,m) potential energy function are derived for a number of symmetric groups of molecules. In the optimizations performed, parameters of the potential function are varied for each molecule, but the e
The first-order intermolecular perturbation theory developed in the frame of a diatomics-in-molecule approach is used to calculate the potential energy surfaces for the Ar...CI 2 complex in the states which correlate with the X0gQS" +) and B0 + (31I) states of the CI 2 fragment. Accurate vibrational