Difference between revisions of "Logan"

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=A Computational Analysis of the Water Droplet=
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=A Computational Analysis of Electron Density in Humulone, Adhumulone, and Cohumulone=
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==Number of Water Molecules Compared to Hydrogen Bond Length (Using Hartree-Fock)==
 
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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."
 
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{| class="wikitable"
 
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! # of Molecules !! HBond Length !! Run Time
 
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| 2 || 2.527 Å || 1.4 seconds
 
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| 3 ||
 
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| 4 || 1.882 Å || 60 seconds
 
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==Number of Water Molecules Compared to Hydrogen Bond Length (Using PM3)==
 

Revision as of 19:12, 15 April 2021

A Computational Analysis of Electron Density in Humulone, Adhumulone, and Cohumulone

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