User contributions for Kyh12
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12 March 2015
- 14:0414:04, 12 March 2015 diff hist +1 Rep:Mod:hkysarah →6-31G Optimisation of S(CH3)3]+
- 14:0414:04, 12 March 2015 diff hist +3 Rep:Mod:hkysarah →6-31G Frequency Analysis of [S(CH3)3]+
- 14:0314:03, 12 March 2015 diff hist −1 Rep:Mod:hkysarah →6-31G Frequency Analysis of [P(CH3)4]+
- 14:0114:01, 12 March 2015 diff hist −1 Rep:Mod:hkysarah →Natural Bond Orbital Analysis of [N(CH3)4]+
- 14:0114:01, 12 March 2015 diff hist −2 Rep:Mod:hkysarah →Natural Bond Orbital Analysis of [N(CH3)4]+
- 13:5913:59, 12 March 2015 diff hist −1 Rep:Mod:hkysarah →6-31G Frequency Analysis of [N(CH3)4]+
- 13:5913:59, 12 March 2015 diff hist −2 Rep:Mod:hkysarah →6-31G Frequency Analysis of [NH(CH3)4]+
- 13:5813:58, 12 March 2015 diff hist −2 Rep:Mod:hkysarah →6-31G Optimisation of [N(CH3)4]+
- 13:5613:56, 12 March 2015 diff hist +14 Rep:Mod:hkysarah →Frequency analysis for NH3BH3
- 13:4913:49, 12 March 2015 diff hist +157 Rep:Mod:hkysarah →Molecular Orbitals of BH3
- 13:3913:39, 12 March 2015 diff hist −4 Rep:Mod:hkysarah →Frequency analysis for BH3
- 13:3613:36, 12 March 2015 diff hist −2 Rep:Mod:hkysarah →Different analysis of BH3 and GaBr3
- 13:3313:33, 12 March 2015 diff hist −1 Rep:Mod:hkysarah →Using a mixture of basis-sets and pseudo-potentials to BBr3 molecule
10 March 2015
- 20:2320:23, 10 March 2015 diff hist 0 Rep:Mod:hkysarah →6-31G Frequency Analysis of [N(CH3)3(CH2)CN]+
- 20:1820:18, 10 March 2015 diff hist −2 Rep:Mod:hkysarah →Annotate the molecular orbital diagram of [N(CH3)4]+
- 20:1320:13, 10 March 2015 diff hist −1 Rep:Mod:hkysarah →Annotate the molecular orbital diagram of [N(CH3)4]+
- 20:1020:10, 10 March 2015 diff hist −1 Rep:Mod:hkysarah →Annotate the molecular orbital diagram of [N(CH3)4]+
- 20:0820:08, 10 March 2015 diff hist −18 Rep:Mod:hkysarah →Result and discussion on the geometries with respect to the central heteroatom
- 20:0720:07, 10 March 2015 diff hist +1 Rep:Mod:hkysarah →Result and discussion on the geometries with respect to the central heteroatom
- 20:0620:06, 10 March 2015 diff hist +4 Rep:Mod:hkysarah →Result and discussion on the geometries with respect to the central heteroatom
- 20:0620:06, 10 March 2015 diff hist −6 Rep:Mod:hkysarah →Result and discussion on the geometries with respect to the central heteroatom
- 20:0520:05, 10 March 2015 diff hist −1 Rep:Mod:hkysarah →Result and discussion on the geometries with respect to the central heteroatom
- 20:0520:05, 10 March 2015 diff hist +3 Rep:Mod:hkysarah →Result and discussion on the geometries with respect to the central heteroatom
- 20:0320:03, 10 March 2015 diff hist −2 Rep:Mod:hkysarah →Result and discussion on the geometries with respect to the central heteroatom
- 20:0220:02, 10 March 2015 diff hist +1 Rep:Mod:hkysarah →6-31G Frequency Analysis of [S(CH3)3]+
- 20:0120:01, 10 March 2015 diff hist −1 Rep:Mod:hkysarah →6-31G Frequency Analysis of [S(CH3)3]+
- 20:0020:00, 10 March 2015 diff hist +1 Rep:Mod:hkysarah →6-31G Frequency Analysis of S(CH3)3]+
- 20:0020:00, 10 March 2015 diff hist −1 Rep:Mod:hkysarah →Natural Bond Orbital Analysis of [P(CH3)4]+
- 19:5819:58, 10 March 2015 diff hist −1 Rep:Mod:hkysarah →Natural Bond Orbital Analysis of [N(CH3)4]+
- 19:5819:58, 10 March 2015 diff hist −2 Rep:Mod:hkysarah →6-31G Frequency Analysis of [NH(CH3)4]+
- 19:5719:57, 10 March 2015 diff hist +383 Rep:Mod:hkysarah →Introduction
- 19:5619:56, 10 March 2015 diff hist −403 Rep:Mod:hkysarah →Introduction
- 19:5519:55, 10 March 2015 diff hist +3 Rep:Mod:hkysarah →Introduction
- 19:5419:54, 10 March 2015 diff hist +5 Rep:Mod:hkysarah →Association energy calculation for NH3BH3
- 19:5319:53, 10 March 2015 diff hist 0 Rep:Mod:hkysarah →Frequency analysis for NH3BH3
- 19:4619:46, 10 March 2015 diff hist +47 Rep:Mod:hkysarah →Optimisation of Ammonia-Borane
- 19:3919:39, 10 March 2015 diff hist −28 Rep:Mod:hkysarah →Compare between BH3 and GaBr3 molecules
- 19:3519:35, 10 March 2015 diff hist 0 Rep:Mod:hkysarah →Frequency analysis for GaBr3
- 19:3319:33, 10 March 2015 diff hist −6 Rep:Mod:hkysarah →Frequency analysis for BH3
- 17:5917:59, 10 March 2015 diff hist −5 Rep:Mod:hkysarah →Results and discussions
- 17:5517:55, 10 March 2015 diff hist +14 Rep:Mod:hkysarah →3-21G Optimisation
- 17:4817:48, 10 March 2015 diff hist +377 Rep:Mod:hkysarah →Introduction
- 17:3717:37, 10 March 2015 diff hist −2 Rep:Mod:hkysarah →Compare and contrast the HOMO and LUMO of [N(CH3)3(CH2)CN]+, [N(CH3)3(CH2)OH]+ and [N(CH3)4]+
- 17:3617:36, 10 March 2015 diff hist −2 Rep:Mod:hkysarah →Compare the charge distribution between [N(CH3)3(CH2)CN]+, [N(CH3)3(CH2)OH]+ and [N(CH3)4]+
- 17:3617:36, 10 March 2015 diff hist +23 Rep:Mod:hkysarah →[N(CH3)3(CH2)OH]+
- 17:3517:35, 10 March 2015 diff hist −233 Rep:Mod:hkysarah →Compare and contrast the HOMO and LUMO of [N(CH3)3(CH2)CN]+, [N(CH3)3(CH2)OH]+ and [N(CH3)4]+
- 17:3217:32, 10 March 2015 diff hist +1,086 Rep:Mod:hkysarah →Compare and contrast the HOMO and LUMO of [N(CH3)3(CH2)CN]+, [N(CH3)3(CH2)OH]+ and [N(CH3)4]+
- 17:3217:32, 10 March 2015 diff hist 0 N File:Kyh12 extraLUMO N(CH3)3(CH2CN).PNG No edit summary current
- 17:3217:32, 10 March 2015 diff hist 0 N File:Kyh12 extraLUMO N(CH3)3(CH2OH).PNG No edit summary current
- 17:3117:31, 10 March 2015 diff hist 0 N File:Kyh12 extraLUMO N(CH3)4.PNG No edit summary current