User contributions for Ds3817

16 March 2018

• 12:1612:16, 16 March 2018 diff hist +50 Rep:Mod:ds3817 →ΔE=2*E(NH3)-[E(N2)+3*E(H2)]
• 12:1612:16, 16 March 2018 diff hist −49 Rep:Mod:ds3817 →ΔE=2*E(NH3)-[E(N2)+3*E(H2)]
• 12:1512:15, 16 March 2018 diff hist +67 Rep:Mod:ds3817 →ΔE=2*E(NH3)-[E(N2)+3*E(H2)]
• 12:1312:13, 16 March 2018 diff hist +72 Rep:Mod:ds3817 →ΔE=2*E(NH3)-[E(N2)+3*E(H2)]
• 12:1312:13, 16 March 2018 diff hist +85 Rep:Mod:ds3817 →ΔE=2*E(NH3)-[E(N2)+3*E(H2)]
• 12:0712:07, 16 March 2018 diff hist −36 Rep:Mod:ds3817 →Is the MO occupied or unoccupied? What effect will your MOs have on bonding?
• 12:0712:07, 16 March 2018 diff hist +21 Rep:Mod:ds3817 →Is the MO occupied or unoccupied? What effect will your MOs have on bonding?
• 12:0712:07, 16 March 2018 diff hist +36 Rep:Mod:ds3817 →Is the MO occupied or unoccupied? What effect will your MOs have on bonding?
• 12:0612:06, 16 March 2018 diff hist +21 Rep:Mod:ds3817 →Is the MO occupied or unoccupied? What effect will your MOs have on bonding?
• 12:0112:01, 16 March 2018 diff hist +22 Rep:Mod:ds3817 →MO10
• 12:0012:00, 16 March 2018 diff hist +23 Rep:Mod:ds3817 →MO6
• 12:0012:00, 16 March 2018 diff hist +23 Rep:Mod:ds3817 →MO9
• 12:0012:00, 16 March 2018 diff hist +23 Rep:Mod:ds3817 →MO5
• 11:5911:59, 16 March 2018 diff hist +24 Rep:Mod:ds3817 →MO2
• 11:5711:57, 16 March 2018 diff hist +11 Rep:Mod:ds3817 →How many bands would you expect to see in an experimental spectrum of gaseous ammonia?
• 11:5711:57, 16 March 2018 diff hist −1 Rep:Mod:ds3817 →How many bands would you expect to see in an experimental spectrum of gaseous ammonia?
• 11:5411:54, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →Screenshot of the "Display Vibrations" window.
• 11:5311:53, 16 March 2018 diff hist +3 Rep:Mod:ds3817 →Screenshot of the "Display Vibrations" window.
• 11:5311:53, 16 March 2018 diff hist +117 Rep:Mod:ds3817 →Screenshot of the "Display Vibrations" window.
• 11:5111:51, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →A Gaussview image of an optimised Ammonia molecule.
• 11:5011:50, 16 March 2018 diff hist +32 Rep:Mod:ds3817 →A Gaussview image of an optimised Ammonia molecule.
• 11:5011:50, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →A Gaussview image of an optimised Nitrogen molecule.
• 11:5011:50, 16 March 2018 diff hist +32 Rep:Mod:ds3817 →A Gaussview image of an optimised Nitrogen molecule.
• 11:5011:50, 16 March 2018 diff hist +32 Rep:Mod:ds3817 →A Gaussview image of an optimised Hydrogen molecule.
• 11:4911:49, 16 March 2018 diff hist +32 Rep:Mod:ds3817 →A Gaussview image of an optimised PH5.
• 11:4711:47, 16 March 2018 diff hist +32 Rep:Mod:ds3817 →A Gaussview image of an optimised Chlorine molecule.
• 11:3611:36, 16 March 2018 diff hist −5 Rep:Mod:ds3817 →A Gaussview image of an optimised Nitrogen molecule.
• 11:3511:35, 16 March 2018 diff hist +5 Rep:Mod:ds3817 →A Gaussview image of an optimised Nitrogen molecule.
• 11:3511:35, 16 March 2018 diff hist +39 Rep:Mod:ds3817 →Vibration Frequency
• 11:3411:34, 16 March 2018 diff hist +39 Rep:Mod:ds3817 →Vibration Frequency
• 11:3211:32, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →A Gaussview image of an optimised Chlorine molecule.
• 11:3211:32, 16 March 2018 diff hist 0 N File:CL2 DS3817.LOG No edit summary current
• 11:3211:32, 16 March 2018 diff hist −94 Rep:Mod:ds3817 →Diagram of charge distribution (NBO as the type).
• 11:3111:31, 16 March 2018 diff hist −88 Rep:Mod:ds3817 →Screenshot of the "Display Vibrations" window.
• 11:3111:31, 16 March 2018 diff hist +54 Rep:Mod:ds3817 →Bond Angle
• 11:3011:30, 16 March 2018 diff hist +1 Rep:Mod:ds3817 →A Gaussview image of an optimised Ammonia molecule.
• 11:2911:29, 16 March 2018 diff hist +2 Rep:Mod:ds3817 →Key information of Ammonia.
• 11:2711:27, 16 March 2018 diff hist +1 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 11:2611:26, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 11:2211:22, 16 March 2018 diff hist −4 Rep:Mod:ds3817 →Bond Angle
• 11:2211:22, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →Bond Length
• 11:2111:21, 16 March 2018 diff hist −1 Rep:Mod:ds3817 →Extra Small molecule - Chlorine.
• 11:2111:21, 16 March 2018 diff hist +442 Rep:Mod:ds3817 →Key information of Ammonia.
• 11:1911:19, 16 March 2018 diff hist +949 Rep:Mod:ds3817 →Extra Small molecule - Chlorine.
• 11:1911:19, 16 March 2018 diff hist −389 Rep:Mod:ds3817 →NH3
• 11:1611:16, 16 March 2018 diff hist −1 Rep:Mod:ds3817 →Is the MO deep in energy, in the HOMO/LUMO region or high in energy?
• 11:1611:16, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →Is the MO deep in energy, in the HOMO/LUMO region or high in energy?
• 11:1611:16, 16 March 2018 diff hist −2 Rep:Mod:ds3817 →Is the MO deep in energy, in the HOMO/LUMO region or high in energy?
• 11:0911:09, 16 March 2018 diff hist +24 Rep:Mod:ds3817 →A Gaussview image of an optimised PH5.
• 11:0911:09, 16 March 2018 diff hist +23 Rep:Mod:ds3817 →A Gaussview image of an optimised Hydrogen molecule.