User contributions for Ds3817

16 March 2018

• 10:0510:05, 16 March 2018 diff hist +48 Rep:Mod:ds3817 →What AOs contribute to the MO?
• 10:0510:05, 16 March 2018 diff hist +48 Rep:Mod:ds3817 →What AOs contribute to the MO?
• 09:5809:58, 16 March 2018 diff hist +2 Rep:Mod:ds3817 →Bond Length
• 09:5809:58, 16 March 2018 diff hist +32 Rep:Mod:ds3817 →NH3
• 09:5609:56, 16 March 2018 diff hist +6 Rep:Mod:ds3817 →Bond Length
• 09:5509:55, 16 March 2018 diff hist +3 Rep:Mod:ds3817 →Bond Length
• 09:5509:55, 16 March 2018 diff hist +3 Rep:Mod:ds3817 →Bond Length
• 09:5409:54, 16 March 2018 diff hist −29 Rep:Mod:ds3817 →Which modes are degenerate (ie have the same energy)?
• 09:5109:51, 16 March 2018 diff hist +19 Rep:Mod:ds3817 →Is the MO deep in energy, in the HOMO/LUMO region or high in energy?
• 09:5009:50, 16 March 2018 diff hist +15 Rep:Mod:ds3817 →Is the MO occupied or unoccupied? What effect will your MOs have on bonding?
• 09:5009:50, 16 March 2018 diff hist +16 Rep:Mod:ds3817 →Is the MO occupied or unoccupied? What effect will your MOs have on bonding?
• 09:4709:47, 16 March 2018 diff hist +16 Rep:Mod:ds3817 →Is the MO deep in energy, in the HOMO/LUMO region or high in energy?
• 09:4709:47, 16 March 2018 diff hist +126 Rep:Mod:ds3817 →Key information of PH5.
• 09:4509:45, 16 March 2018 diff hist +25 Rep:Mod:ds3817 →Calculations.
• 09:4409:44, 16 March 2018 diff hist +6 Rep:Mod:ds3817 →E(NH3)
• 09:4409:44, 16 March 2018 diff hist +119 Rep:Mod:ds3817 →Key information of Hydrogen.
• 09:4309:43, 16 March 2018 diff hist +7 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Nitrogen.
• 09:4309:43, 16 March 2018 diff hist −31 Rep:Mod:ds3817 →Key information of Ammonia.
• 09:4209:42, 16 March 2018 diff hist −31 Rep:Mod:ds3817 →Key information of Nitrogen.
• 09:4209:42, 16 March 2018 diff hist +150 Rep:Mod:ds3817 →Key information of Nitrogen.
• 09:4009:40, 16 March 2018 diff hist −21 Rep:Mod:ds3817 →Key information of Ammonia.
• 09:3909:39, 16 March 2018 diff hist +22 Rep:Mod:ds3817 →Key information of Ammonia.
• 09:3909:39, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →Key information of Ammonia.
• 09:3809:38, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →Key information of Ammonia.
• 09:3809:38, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →Key information of Ammonia.
• 09:3709:37, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →Key information of Ammonia.
• 09:3709:37, 16 March 2018 diff hist +152 Rep:Mod:ds3817 →Key information of Ammonia.
• 09:3209:32, 16 March 2018 diff hist +9 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 09:3109:31, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →"Item" table of converged forces and distances for PH5.
• 09:3009:30, 16 March 2018 diff hist +6 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Hydrogen.
• 09:2509:25, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →"Item" table of converged forces and distances for PH5.
• 09:2309:23, 16 March 2018 diff hist +25 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Hydrogen.
• 09:2209:22, 16 March 2018 diff hist −6 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Nitrogen.
• 09:2109:21, 16 March 2018 diff hist +6 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 09:2009:20, 16 March 2018 diff hist −4 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 09:2009:20, 16 March 2018 diff hist −5 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 09:1909:19, 16 March 2018 diff hist +4 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 09:1809:18, 16 March 2018 diff hist −318 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 09:1709:17, 16 March 2018 diff hist −5 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 09:1609:16, 16 March 2018 diff hist +2 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 09:1609:16, 16 March 2018 diff hist +312 Rep:Mod:ds3817 →"Item" table of converged forces and distances for Ammonia.
• 00:5800:58, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →Is the MO deep in energy, in the HOMO/LUMO region or high in energy?
• 00:5800:58, 16 March 2018 diff hist 0 Rep:Mod:ds3817 →Is the MO deep in energy, in the HOMO/LUMO region or high in energy?
• 00:5700:57, 16 March 2018 diff hist −4 Rep:Mod:ds3817 →How many bands would you expect to see in an experimental spectrum of gaseous ammonia?

15 March 2018

• 15:5515:55, 15 March 2018 diff hist +41 Rep:Mod:ds3817 →How many bands would you expect to see in an experimental spectrum of gaseous ammonia?
• 15:5115:51, 15 March 2018 diff hist +23 Rep:Mod:ds3817 →What AOs contribute to the MO?
• 15:5015:50, 15 March 2018 diff hist −1 Rep:Mod:ds3817 →What AOs contribute to the MO?
• 15:4815:48, 15 March 2018 diff hist +14 Rep:Mod:ds3817 →What AOs contribute to the MO?
• 15:4115:41, 15 March 2018 diff hist −44 Rep:Mod:ds3817 →What AOs contribute to the MO?
• 15:3915:39, 15 March 2018 diff hist −1 Rep:Mod:ds3817 →What AOs contribute to the MO?