User contributions for Mh4512
Appearance
6 February 2015
- 13:5213:52, 6 February 2015 diff hist 0 N File:NH3 frequency 2 Summary.PNG No edit summary current
- 13:4613:46, 6 February 2015 diff hist +6 m Rep:Mod:Mengsha →NH3:B3LYP/6-31G(d,p) level
- 13:4613:46, 6 February 2015 diff hist 0 N File:HM nh3 opt 631g dp 2.mol2 No edit summary current
- 13:4013:40, 6 February 2015 diff hist 0 N File:HM NH3 OPT 631G DP 2.LOG No edit summary current
- 13:4013:40, 6 February 2015 diff hist 0 N File:NH3 opt 631g dp 2 Summary.PNG No edit summary current
- 13:2813:28, 6 February 2015 diff hist +6 m Rep:Mod:Mengsha →Molecular Orbitals diagram of BH3
- 13:2313:23, 6 February 2015 diff hist −6 m Rep:Mod:Mengsha →Day 3
- 13:2213:22, 6 February 2015 diff hist +8 m Rep:Mod:Mengsha →Molecular Orbitals of BH3
- 13:1413:14, 6 February 2015 diff hist −18 m Rep:Mod:Mengsha →GaBr3:B3LYP/6-31G(d,p)
- 13:0713:07, 6 February 2015 diff hist +137 m Rep:Mod:Mengsha →Day 3
- 12:5512:55, 6 February 2015 diff hist 0 m Rep:Mod:Mengsha →Vibrational spectrum for GaBr3
- 12:5512:55, 6 February 2015 diff hist 0 m Rep:Mod:Mengsha →GaBr3:B3LYP/6-31G(d,p)
- 12:5512:55, 6 February 2015 diff hist 0 m Rep:Mod:Mengsha →GaBr3:B3LYP/6-31G(d,p)
- 12:5312:53, 6 February 2015 diff hist −3 m Rep:Mod:Mengsha →GaBr3:B3LYP/6-31G(d,p)
- 12:5212:52, 6 February 2015 diff hist 0 m Rep:Mod:Mengsha →Vibrational spectrum for BH3
- 12:5212:52, 6 February 2015 diff hist 0 m Rep:Mod:Mengsha →Vibrational spectrum for BH3
- 12:5112:51, 6 February 2015 diff hist −1 m Rep:Mod:Mengsha →Day 3
- 12:5112:51, 6 February 2015 diff hist −2 m Rep:Mod:Mengsha →Vibrational spectrum for BH3
- 12:4812:48, 6 February 2015 diff hist +185 m Rep:Mod:Mengsha →Geometry Comparison of EX3
- 12:4612:46, 6 February 2015 diff hist +683 m Rep:Mod:Mengsha →Geometry Comparison
- 12:0612:06, 6 February 2015 diff hist +2 m Rep:Mod:Mengsha →B3LYP/3-21G level
- 12:0612:06, 6 February 2015 diff hist +53 m Rep:Mod:Mengsha →BH3 Point Group: D3H
- 12:0412:04, 6 February 2015 diff hist −22 m Rep:Mod:Mengsha →BH3 Point Group: Cs
- 12:0312:03, 6 February 2015 diff hist +26 m Rep:Mod:Mengsha →Day 1 BH3 B3LYP/3-21G level
- 12:0312:03, 6 February 2015 diff hist −1 m Rep:Mod:Mengsha →Day 1 BH3: B3LYP/3-21G level
- 12:0212:02, 6 February 2015 diff hist +42 m Rep:Mod:Mengsha →Day 1
- 12:0112:01, 6 February 2015 diff hist +259 m Rep:Mod:Mengsha →Day 1
- 11:5911:59, 6 February 2015 diff hist −213 m Rep:Mod:Mengsha →Day 1
- 11:5611:56, 6 February 2015 diff hist 0 m Rep:Mod:Mengsha →BH3: B3LYP/3-21G level
5 February 2015
- 15:5615:56, 5 February 2015 diff hist 0 m Rep:Mod:Mengsha →Energies of the NH3BH3 bond
- 15:5615:56, 5 February 2015 diff hist +132 m Rep:Mod:Mengsha →NH3BH3 frequency analysis: B3LYP/6-31G(d,p)
- 15:5515:55, 5 February 2015 diff hist 0 N File:HM NH3BH3 IR Spectrum 2.PNG No edit summary current
- 15:5115:51, 5 February 2015 diff hist 0 N File:HM NH3BH3 FREQUENCY 2.LOG No edit summary current
- 15:5115:51, 5 February 2015 diff hist 0 N File:NH3BH3 frequency Summary 2.PNG No edit summary current
- 15:4215:42, 5 February 2015 diff hist +2 m Rep:Mod:Mengsha →NH3BH3:B3LYP/6-31G(d,p) level
- 15:3915:39, 5 February 2015 diff hist 0 N File:NH3BH3 opt Summary 2.PNG No edit summary current
- 15:2115:21, 5 February 2015 diff hist −23 m Rep:Mod:Mengsha →BH3 Point Group: Cs
- 15:2015:20, 5 February 2015 diff hist +33 m Rep:Mod:Mengsha →Geometry Comparison
- 15:2015:20, 5 February 2015 diff hist +11 m Rep:Mod:Mengsha →BBr3: B3LYP/6-31G(d,p)LANL2DZ i.e. GEN level using a mixture of basis-sets and psuedo-potentials
- 15:1915:19, 5 February 2015 diff hist +10 m Rep:Mod:Mengsha →BH3: B3LYP/6-31G level
- 15:1915:19, 5 February 2015 diff hist +22 m Rep:Mod:Mengsha →BH3 Point Group: D3H
- 15:1915:19, 5 February 2015 diff hist +11 m Rep:Mod:Mengsha →BH3 Point Group: C1
- 15:1815:18, 5 February 2015 diff hist +11 m Rep:Mod:Mengsha →BH3 Point Group: Cs
- 15:1715:17, 5 February 2015 diff hist −2 m Rep:Mod:Mengsha →Day 4
- 15:1715:17, 5 February 2015 diff hist −2 m Rep:Mod:Mengsha →Day 3
- 15:1615:16, 5 February 2015 diff hist +22 m Rep:Mod:Mengsha →Association Energy of NH3BH3
- 14:5514:55, 5 February 2015 diff hist −1 m Rep:Mod:Mengsha →Molecular Orbitals of BH3
- 14:1814:18, 5 February 2015 diff hist +1 m Rep:Mod:Mengsha →Day4
- 14:1814:18, 5 February 2015 diff hist −78 m Rep:Mod:Mengsha →NBO analysis of NH3
- 14:1714:17, 5 February 2015 diff hist +67 m Rep:Mod:Mengsha →NBO analysis of NH3