A fast numerical procedure for determining the saddle point of a free energy surface
β Scribed by Norman F. Robinson
- Book ID
- 115947594
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 207 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0021-8502
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
using the restricted HartreeαFock RHF method and the STO-3G basis set. Forty-nine minima and saddle points of different indices were found. At least seven stationary points representing bonded structures were detected in addition to those located using another search algorithm on the same level of t
Interfacial solid/liquid interactions play a crucial role in wetting, spreading, and adhesion processes. In the case of a flat solid surface, contact angle measurements are commonly utilized for the determination of the solid surface free energy and its components. However, if such a surface cannot