Difference between revisions of "Logan"

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==Number of Water Molecules Compared to Hydrogen Bond Length (Using PM3)==

Revision as of 20:56, 8 April 2021

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
5
6
7
8
9
10
11

Number of Water Molecules Compared to Hydrogen Bond Length (Using PM3)