Logan
Revision as of 21:22, 8 April 2021 by Logan Evans (talk | contribs) (→Number of Water Molecules Compared to Hydrogen Bond Length (Using Hartree-Fock))
A Computational Analysis of the Water Droplet
Number of Water Molecules Compared to Hydrogen Bond Length (Using Hartree-Fock)
2 molecules work just fine, as it is hard for the program to screw that up. However, once reaching 3 molecules, the system cannot provide symmetrical values for each of the hydrogen bonds present in the "droplet."
# of Molecules | HBond Length | Run Time |
---|---|---|
2 | 2.527 Å | 1.4 seconds |
3 | ||
4 | 1.882 Å | 60 seconds |
5 | ||
6 | ||
7 | ||
8 | ||
9 | ||
10 | ||
11 |