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Jmol0 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from AM1 calculations. |
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HF Model using AM1 calculations. Click on the image to view the calculated bond length.
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Jmol1 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from PM3 Calculations |
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HF Model using PM3 calculations. Click on the image to view the calculated bond length.
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Jmol2 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from 6-21G Calculations |
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HF Model using 6-21G calculations. Click on the image to view the calculated bond length.
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Jmol3 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from 6-31G Calculations |
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HF Model using 6-31G calculations. Click on the image to view the calculated bond length.
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Jmol4 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from DZV Calculations |
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HF Model using DZV calculations. Click on the image to view the calculated bond length.
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Jmol5 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from DZV Calculations with improvements from polarization functions.
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HF Model using DZV calculations, improved by adding polarization functions. Click on the image to view the calculated bond length.
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Jmol6 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from DZV showing HOMO |
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HF Model using DZV calculations. Click on the image to view the Highest Occupied Molecular Orbital.
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Jmol7 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from DZV showing LUMO |
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HF Model using DZV calculations. Click on the image to view the Lowest Unoccupied Molecular Orbital.
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Jmol8 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from DZV showing the distribution of partial charges. |
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HF Model using DZV calculations. Click on the image to view the distribution of partial charges.
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Jmol9 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
HF Model from DZV showing the electrostatic potential. |
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HF Model using DZV calculations. Click on the image to view the electrostatic potential across the molecule.
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Based on template by A. Herráez as modified by J. Gutow
Using directory /Users/student/Documents/ZACGCK/HF
adding JmolPopIn.js
...jmolApplet0
...adding HF_AM1_BL.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...copying
file:/Users/student/Documents/ZacGage_Lab2/HF_ZacGage/HF_AM1.log
to
/Users/student/Documents/ZACGCK/HF/HF_AM1.log
...adding HF_AM1_BL.spt
...jmolApplet1
...adding HF_PM3_BL.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...copying
file:/Users/student/Documents/ZacGage_Lab2/HF_ZacGage/HF_PM3.log
to
/Users/student/Documents/ZACGCK/HF/HF_PM3.log
...adding HF_PM3_BL.spt
...jmolApplet2
...adding HF_6-21G_BL.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...copying
file:/Users/student/Documents/ZacGage_Lab2/HF_ZacGage/HF_621G.log
to
/Users/student/Documents/ZACGCK/HF/HF_621G.log
...adding HF_6-21G_BL.spt
...jmolApplet3
...adding HF_6-31G_BL.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...copying
file:/Users/student/Documents/ZacGage_Lab2/HF_ZacGage/HF_631G.log
to
/Users/student/Documents/ZACGCK/HF/HF_631G.log
...adding HF_6-31G_BL.spt
...jmolApplet4
...adding HF_DZV_BL.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...copying
file:/Users/student/Documents/ZacGage_Lab2/HF_ZacGage/HF_DZV.log
to
/Users/student/Documents/ZACGCK/HF/HF_DZV.log
...adding HF_DZV_BL.spt
...jmolApplet5
...adding HF_DZV_pol_BL.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...copying
file:/Users/student/Documents/ZacGage_Lab2/HF_ZacGage/HF_DZV_improved.log
to
/Users/student/Documents/ZACGCK/HF/HF_DZV_improved.log
...adding HF_DZV_pol_BL.spt
...jmolApplet6
...adding HF_HOMO.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...adding HF_HOMO.spt
...jmolApplet7
...adding HF_LUMO.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...adding HF_LUMO.spt
...jmolApplet8
...adding HF_partial_atomic_charges.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...adding HF_partial_atomic_charges.spt
...jmolApplet9
...adding HF_electro_pot.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/HF
...adding HF_electro_pot.spt