User contributions for Kvm12

3 March 2015

• 10:3110:31, 3 March 2015 diff hist +32 Rep:MOD:KVM125133 →Frequency NH3BH3:B3LYP/6-31G(d,p)
• 10:2910:29, 3 March 2015 diff hist +40 Rep:MOD:KVM125133 →Frequency NH3BH3:B3LYP/6-31G(d,p)
• 10:2810:28, 3 March 2015 diff hist 0 N File:KVM NH3BH3 spectrum.png No edit summary current
• 10:2710:27, 3 March 2015 diff hist +189 Rep:MOD:KVM125133 →Frequency NH3BH3:B3LYP/6-31G(d,p)
• 10:2310:23, 3 March 2015 diff hist +159 Rep:MOD:KVM125133 →Frequency NH3BH3:B3LYP/6-31G(d,p)
• 10:1410:14, 3 March 2015 diff hist +260 Rep:MOD:KVM125133 →Frequency NH3BH3:B3LYP/6-31G(d,p)

2 March 2015

• 20:2720:27, 2 March 2015 diff hist +89 Rep:MOD:KVM125133 →BH3: B3LYP/6-31G(d,p)
• 20:2620:26, 2 March 2015 diff hist −108 Rep:MOD:KVM125133 →Geometry Comparison
• 20:1220:12, 2 March 2015 diff hist +183 Rep:MOD:KVM125133 →Geometry Comparison
• 20:0120:01, 2 March 2015 diff hist +216 Rep:MOD:KVM125133 →Geometry Comparison
• 19:3419:34, 2 March 2015 diff hist +547 Rep:MOD:KVM125133 →Geometry Comparison
• 19:1019:10, 2 March 2015 diff hist +130 Rep:MOD:KVM125133 →BH3:B3LYP/6-31G(d,p)
• 16:3216:32, 2 March 2015 diff hist 0 Rep:MOD:KVM125133 →Frequency NH3BH:B3LYP/6-31G(d,p)
• 16:3216:32, 2 March 2015 diff hist +473 Rep:MOD:KVM125133 →Association Energies: Ammonia-Borane
• 16:3016:30, 2 March 2015 diff hist 0 N File:KVM NH3BH3 freq summary.PNG No edit summary current
• 16:2916:29, 2 March 2015 diff hist 0 N File:KVM NH3BH3 FREQ.LOG No edit summary current
• 16:2516:25, 2 March 2015 diff hist +909 Rep:MOD:KVM125133 →Charge Distribution of NH3
• 16:2516:25, 2 March 2015 diff hist 0 N File:KVM NH3BH3 Opt.mol No edit summary current
• 16:2416:24, 2 March 2015 diff hist 0 N File:KVM NH3BH3 opt summary.PNG No edit summary current
• 16:2316:23, 2 March 2015 diff hist 0 N File:KVM NH3BH3 OPT.LOG No edit summary current
• 16:0816:08, 2 March 2015 diff hist +27 Rep:MOD:KVM125133 →Molecular Orbitals of BH3
• 16:0316:03, 2 March 2015 diff hist 0 N File:KVM BH3 MO diagram annotated.png No edit summary current
• 15:5715:57, 2 March 2015 diff hist +157 Rep:MOD:KVM125133 →Molecular Orbitals of BH3
• 15:3515:35, 2 March 2015 diff hist +1,118 Rep:MOD:KVM125133 →Vibrational spectrum for GaBr3
• 15:2315:23, 2 March 2015 diff hist +503 Rep:MOD:KVM125133 →Vibrational spectrum for GaBr3
• 15:1315:13, 2 March 2015 diff hist +2 Rep:MOD:KVM125133 →Vibrational spectrum for BH3
• 15:1215:12, 2 March 2015 diff hist +55 Rep:MOD:KVM125133 →GaBr3: B3LYP/LANL2DZ
• 15:0515:05, 2 March 2015 diff hist +1,914 Rep:MOD:KVM125133 →Frequency Analysis
• 14:3414:34, 2 March 2015 diff hist +203 Rep:MOD:KVM125133 →BBr3:B3LYP/6-31G(d,p)LANL2DZ
• 14:3214:32, 2 March 2015 diff hist +427 Rep:MOD:KVM125133 →GaBr3:B3LYP/LANL2DZ
• 14:2214:22, 2 March 2015 diff hist −1 Rep:MOD:KVM125133 →GaBr3:B3LYP/LANL2DZ
• 14:2114:21, 2 March 2015 diff hist +128 Rep:MOD:KVM125133 →BH3:B3LYP/6-31G(d,p)
• 14:0714:07, 2 March 2015 diff hist +77 Rep:MOD:KVM125133 →Charge Distribution
• 14:0314:03, 2 March 2015 diff hist 0 N File:KVM NH3 NBO charge distribution.png No edit summary current
• 14:0014:00, 2 March 2015 diff hist +484 Rep:MOD:KVM125133 →NBO Analysis of NH3
• 13:5113:51, 2 March 2015 diff hist +207 Rep:MOD:KVM125133 →Molecular Orbitals of BH3
• 13:4613:46, 2 March 2015 diff hist +102 Rep:MOD:KVM125133 →NBO Analysis of NH3

27 February 2015

• 16:2416:24, 27 February 2015 diff hist +28 Rep:MOD:KVM125133 →Molecular Orbitals of BH3
• 16:1016:10, 27 February 2015 diff hist +704 Rep:MOD:KVM125133 →NBO Analysis of NH3
• 16:1016:10, 27 February 2015 diff hist 0 N File:KVM NH3 FREQ SPECTRUM.png No edit summary current
• 16:0216:02, 27 February 2015 diff hist 0 N File:KVM NH3 Freq summary.PNG No edit summary current
• 16:0216:02, 27 February 2015 diff hist 0 N File:KVM NH3 FREQ 631G.LOG No edit summary current
• 15:5515:55, 27 February 2015 diff hist +649 Rep:MOD:KVM125133 →Optimisation NH3:B3LYP/6-31G(d,p)
• 15:5515:55, 27 February 2015 diff hist 0 N File:KVM NH3 Opt 631G.mol No edit summary current
• 15:5415:54, 27 February 2015 diff hist 0 N File:KVM NH3 Opt 631G summary.PNG No edit summary current
• 15:5315:53, 27 February 2015 diff hist 0 N File:KVM NH3 OPT 631G.LOG No edit summary current
• 15:5215:52, 27 February 2015 diff hist −1 Rep:MOD:KVM125133 →BH3:B3LYP/6-31G(d,p)
• 15:5215:52, 27 February 2015 diff hist +108 Rep:MOD:KVM125133 →Molecular Orbitals of BH3
• 15:4415:44, 27 February 2015 diff hist +214 Rep:MOD:KVM125133 →GaBr3: B3LYP/LANL2DZ
• 14:2814:28, 27 February 2015 diff hist 0 Rep:MOD:KVM125133 →Vibrational spectrum for BH3