User contributions for Jg2011
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27 January 2014
- 12:1012:10, 27 January 2014 diff hist +6,409 Rep:Mod:heterocyclic5memberd →NBO Analysis of Thiophene
25 January 2014
- 18:3918:39, 25 January 2014 diff hist +63 Rep:Mod:heterocyclic5memberd →Optimization (6-311G DFT)
- 18:3818:38, 25 January 2014 diff hist +52 Rep:Mod:heterocyclic5memberd →Optimization (6-311G DFT)
- 13:2013:20, 25 January 2014 diff hist +303 Rep:Mod:heterocyclic5memberd →Comparison of Bond Lengths with Literature Data
- 13:1913:19, 25 January 2014 diff hist 0 N File:Thiophene OPT 6311G(DP) mp2 2dpplus POPoutput chkpoint.fchk No edit summary current
- 13:1813:18, 25 January 2014 diff hist 0 N File:Thiophene OPT 6311G(DP) mp2 2dpplus POPoutput.log No edit summary current
- 13:1213:12, 25 January 2014 diff hist +66 Rep:Mod:heterocyclic5memberd →Optimization of Furan (MP2 6-311G(d,p))
- 13:1113:11, 25 January 2014 diff hist 0 N File:Furan OPT MP2 output.log No edit summary current
- 13:1113:11, 25 January 2014 diff hist +553 Rep:Mod:heterocyclic5memberd →Optimization of Furan (MP2 6-311G(d,p))
- 13:0713:07, 25 January 2014 diff hist +528 Rep:Mod:heterocyclic5memberd →Vibrational Analysis
- 13:0413:04, 25 January 2014 diff hist +30 Rep:Mod:heterocyclic5memberd →Vibrational Analysis
- 12:4712:47, 25 January 2014 diff hist +68 Rep:Mod:heterocyclic5memberd →Optimization of Pyrrole (MP2 6-311G(d,p))
- 12:4712:47, 25 January 2014 diff hist 0 N File:Pyrrole OPT MP2 output.log No edit summary current
- 12:4612:46, 25 January 2014 diff hist +455 Rep:Mod:heterocyclic5memberd →Optimization of Pyrrole (MP2 6-311G(d,p))
- 12:4412:44, 25 January 2014 diff hist +653 Rep:Mod:heterocyclic5memberd →Vibrational Analysis
- 12:3012:30, 25 January 2014 diff hist +13 Rep:Mod:heterocyclic5memberd →Comparison of Bond Lengths with Literature Data
- 12:2412:24, 25 January 2014 diff hist −5 Rep:Mod:heterocyclic5memberd →=
- 12:1712:17, 25 January 2014 diff hist +95 Rep:Mod:heterocyclic5memberd →Vibrational Analysis
- 12:1612:16, 25 January 2014 diff hist 0 N File:Thiophene OPT 6311G(DP) mp2 2dpplus freqoutput.log No edit summary current
- 12:1612:16, 25 January 2014 diff hist +548 Rep:Mod:heterocyclic5memberd →Optimization of Thiophene (MP2 6-311G+(2d,p))
- 12:0712:07, 25 January 2014 diff hist +242 Rep:Mod:heterocyclic5memberd →Comparison of Bond Lengths with Literature Data
- 12:0412:04, 25 January 2014 diff hist +461 Rep:Mod:heterocyclic5memberd →Optimization of Thiophene (MP2 6-311G+(2d,p)
- 11:5211:52, 25 January 2014 diff hist 0 Rep:Mod:heterocyclic5memberd →Vibrational Analysis
- 11:4411:44, 25 January 2014 diff hist +1,038 Rep:Mod:heterocyclic5memberd →Optimization of Furan (DFT 6-311G(d,p)
- 11:4111:41, 25 January 2014 diff hist 0 N File:Furan OPT 6311gdp freq.log No edit summary current
- 11:3511:35, 25 January 2014 diff hist +689 Rep:Mod:heterocyclic5memberd →Analysis of Furan
- 11:3311:33, 25 January 2014 diff hist 0 N File:Furan OPT 6311gdp.log No edit summary current
- 11:2611:26, 25 January 2014 diff hist +668 Rep:Mod:heterocyclic5memberd →Optimization of Pyrrole (DFT 6-311G)
- 11:2211:22, 25 January 2014 diff hist 0 N File:Pyrrole OPT 6311gdp freq.log No edit summary current
- 11:1911:19, 25 January 2014 diff hist +449 Rep:Mod:heterocyclic5memberd →Optimization of Pyrrole (DFT 6-311G)
- 11:1511:15, 25 January 2014 diff hist +826 Rep:Mod:heterocyclic5memberd →Analysis of Pyrrole
- 11:1411:14, 25 January 2014 diff hist 0 N File:Pyrrole OPT 6311gdp.log No edit summary current
- 11:0311:03, 25 January 2014 diff hist +977 Rep:Mod:heterocyclic5memberd →Optimization of Thiophene (MP2 6-311G+(2d,p)
- 10:5610:56, 25 January 2014 diff hist +785 Rep:Mod:heterocyclic5memberd →Optimization of Thiophene using MP2 method
- 10:4910:49, 25 January 2014 diff hist +532 Rep:Mod:heterocyclic5memberd →Optimization of Thiophene using MP2 method
- 10:4810:48, 25 January 2014 diff hist 0 N File:Thiophene OPT 6311G(DP) mp2.log No edit summary current
- 10:4110:41, 25 January 2014 diff hist +842 Rep:Mod:heterocyclic5memberd →Vibrational Analysis (6-311G (d,p))
- 10:4010:40, 25 January 2014 diff hist 0 N File:Thiophene OPT 6311G(DP) mp2 freqoutput.log No edit summary current
- 10:2410:24, 25 January 2014 diff hist +309 Rep:Mod:heterocyclic5memberd →Vibrational Analysis (6-311G (d,p))
- 10:1510:15, 25 January 2014 diff hist +195 Rep:Mod:heterocyclic5memberd →Optimization (6-311G DFT)
- 10:1110:11, 25 January 2014 diff hist +533 Rep:Mod:heterocyclic5memberd →Optimization (6-31G DFT)
- 10:1010:10, 25 January 2014 diff hist 0 N File:Thiophene OPT 6311G(DP).log No edit summary current
- 09:4809:48, 25 January 2014 diff hist −19 Rep:Mod:heterocyclic5memberd →Optimization (3-21G DFT)
- 09:4509:45, 25 January 2014 diff hist +49 Rep:Mod:heterocyclic5memberd →Optimization (3-21G DFT)
- 09:4409:44, 25 January 2014 diff hist +487 Rep:Mod:heterocyclic5memberd →Optimization (3-21G DFT)
- 09:4109:41, 25 January 2014 diff hist +167 Rep:Mod:heterocyclic5memberd →Analysis of Thiophene
- 09:3609:36, 25 January 2014 diff hist +223 Rep:Mod:heterocyclic5memberd →Analysis of Thiophene
- 09:3309:33, 25 January 2014 diff hist +1,251 Rep:Mod:heterocyclic5memberd →The aims of investigation
- 09:3209:32, 25 January 2014 diff hist +104 N Rep:Mod:heterocyclic5memberd Created page with "==The aims of investigation== ==Analysis of Thiophene== ==Analysis of Pyrrole== ==Analysis of Furan=="
- 00:2200:22, 25 January 2014 diff hist +461 Rep:Mod:underhill911 →GaBr3 Optimization with LanL2dz (D3H)