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User contributions for Ft311

Results for Ft311 talk block log uploads logs

A user with 1,469 edits. Account created on 17 October 2011.

16:2616:26, 16 October 2013 diff hist +450 Rep:Mod:fred123 →NBO analysis
15:5815:58, 16 October 2013 diff hist +12 Rep:Mod:fred123 →NBO analysis
15:5815:58, 16 October 2013 diff hist +7 Rep:Mod:fred123 →NBO analysis
15:5615:56, 16 October 2013 diff hist −1 Rep:Mod:fred123 →NBO analysis
15:5615:56, 16 October 2013 diff hist +4 Rep:Mod:fred123 →NBO analysis
15:5415:54, 16 October 2013 diff hist +14 Rep:Mod:fred123 →NBO analysis
15:5315:53, 16 October 2013 diff hist 0 Rep:Mod:fred123 →Relative contribution of the C and heteroatom to the C-X bond.
15:5115:51, 16 October 2013 diff hist 0 Rep:Mod:fred123 →NBO analysis
15:4615:46, 16 October 2013 diff hist 0 Rep:Mod:fred123 →Relative contribution of the C and heteroatom to the C-X bond.
15:4515:45, 16 October 2013 diff hist +1,236 Rep:Mod:fred123 →Relative contribution of the C and heteroatom to the C-X bond.
15:2315:23, 16 October 2013 diff hist +11 Rep:Mod:fred123 →What difference does changing the ligand have?
15:2215:22, 16 October 2013 diff hist 0 Rep:Mod:fred123 →GaBr3 Optimization (LanL2DZ basis set)
15:2115:21, 16 October 2013 diff hist −169 Rep:Mod:fred123 →NBO analysis
14:5014:50, 16 October 2013 diff hist +157 Rep:Mod:fred123 →Optimisation of [S(CH3)3]+
14:4614:46, 16 October 2013 diff hist +1,582 Rep:Mod:fred123 →NBO analysis
12:2912:29, 16 October 2013 diff hist +430 Rep:Mod:fred123 →NBO analysis
12:2512:25, 16 October 2013 diff hist 0 File:N(CH3)4 energy NBO.PNG uploaded a new version of "File:N(CH3)4 energy NBO.PNG" current
12:2312:23, 16 October 2013 diff hist 0 N File:P(CH3)4 NBO.PNG No edit summary current
12:2212:22, 16 October 2013 diff hist 0 N File:N(CH3)4 energy NBO.PNG No edit summary
12:1912:19, 16 October 2013 diff hist +50 Rep:Mod:fred123 →NBO analysis
12:1812:18, 16 October 2013 diff hist +29 Rep:Mod:fred123 →NBO analysis
12:1712:17, 16 October 2013 diff hist 0 File:S(CH3)3 NBO.PNG uploaded a new version of "File:S(CH3)3 NBO.PNG" current
12:1512:15, 16 October 2013 diff hist 0 N File:S(CH3)3 NBO.PNG No edit summary
12:1412:14, 16 October 2013 diff hist 0 N File:P(CH3)4+ NBO.PNG No edit summary current
12:1412:14, 16 October 2013 diff hist 0 N File:N(CH3)4+ NBO.PNG No edit summary current

22:4922:49, 15 October 2013 diff hist +33 Rep:Mod:fred123 →NBO analysis
22:3322:33, 15 October 2013 diff hist +509 Rep:Mod:fred123 →NBO analysis
22:2622:26, 15 October 2013 diff hist +24 Rep:Mod:fred123 →For both spectra two modes lie fairly closely together, the A2" and E' modes and then the other two modes also lie fairly close together, the A1' and E' modes, but higher in energy. Why is this?
22:1822:18, 15 October 2013 diff hist +16 Rep:Mod:fred123 →Molecular Orbitals of [N(CH3)4]+
21:5621:56, 15 October 2013 diff hist +42 Rep:Mod:fred123 →Optimisation of [S(CH3)3]+
21:5521:55, 15 October 2013 diff hist +48 Rep:Mod:fred123 →Optimisation of [P(CH3)4]+
21:5121:51, 15 October 2013 diff hist +48 Rep:Mod:fred123 →Optimisation of [N(CH3)4]+
21:4721:47, 15 October 2013 diff hist +49 Rep:Mod:fred123 →Low frequencies
21:4721:47, 15 October 2013 diff hist 0 N File:S(CH3)3ir.PNG No edit summary current
21:4421:44, 15 October 2013 diff hist 0 Rep:Mod:fred123 →IR spectrum
21:4321:43, 15 October 2013 diff hist 0 N File:P(CH3)4IR.PNG No edit summary current
21:3821:38, 15 October 2013 diff hist 0 Rep:Mod:fred123 →IR spectrum
21:3821:38, 15 October 2013 diff hist +54 Rep:Mod:fred123 →Low Frequencies
21:3821:38, 15 October 2013 diff hist 0 N File:Real N(CH3)4IR.PNG No edit summary current
21:3421:34, 15 October 2013 diff hist +6 Rep:Mod:fred123 →IR spectrum
21:3321:33, 15 October 2013 diff hist +43 Rep:Mod:fred123 →Optimisation of [P(CH3)4]+
21:3321:33, 15 October 2013 diff hist 0 N File:N(CH3)4IR.PNG No edit summary current
21:3021:30, 15 October 2013 diff hist +24 Rep:Mod:fred123 →Molecular Orbitals of [N(CH3)4]+
21:2921:29, 15 October 2013 diff hist 0 Rep:Mod:fred123 →Optimisation of [P(CH3)4]+
21:2821:28, 15 October 2013 diff hist 0 Rep:Mod:fred123 →Optimisation of [S(CH3)3]+
21:2821:28, 15 October 2013 diff hist −44 Rep:Mod:fred123 →Molecular Orbitals of [N(CH3)4]+
21:2721:27, 15 October 2013 diff hist +171 Rep:Mod:fred123 →Molecular Orbitals of [N(CH3)4]+
21:2521:25, 15 October 2013 diff hist 0 N File:N(CH3)4energy.fchk No edit summary current
21:2421:24, 15 October 2013 diff hist −1 Rep:Mod:fred123 →Molecular Orbitals of [N(CH3)4]+
21:2221:22, 15 October 2013 diff hist +256 Rep:Mod:fred123 →Molecular Orbitals of [N(CH3)4]+

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