User contributions for Jg2011
Appearance
30 January 2014
- 18:2418:24, 30 January 2014 diff hist +3,601 Rep:Mod:heterocyclic5memberd No edit summary
- 18:2218:22, 30 January 2014 diff hist −1,174 Rep:Mod:heterocyclic5memberd →Optimization of Pyrrole (MP2 6-311G+(2d,p))
- 18:2218:22, 30 January 2014 diff hist −1,109 Rep:Mod:heterocyclic5memberd →Optimization of Furan (MP2 6-311G+(2d,p))
- 18:1418:14, 30 January 2014 diff hist +11 Rep:Mod:heterocyclic5memberd →Optimization MP2 6-311G+(2d,p)
- 18:1318:13, 30 January 2014 diff hist 0 Rep:Mod:heterocyclic5memberd →Charge distribution in Pyrrole
- 18:1318:13, 30 January 2014 diff hist +11 Rep:Mod:heterocyclic5memberd →Charge distribution
- 18:1318:13, 30 January 2014 diff hist +17 Rep:Mod:heterocyclic5memberd →NBO Analysis
- 18:1218:12, 30 January 2014 diff hist +21 Rep:Mod:heterocyclic5memberd →Comparison of Bond Lengths
- 18:1118:11, 30 January 2014 diff hist +17 Rep:Mod:heterocyclic5memberd →Optimization 6-311G+(2d,p)
- 18:1018:10, 30 January 2014 diff hist +2 Rep:Mod:heterocyclic5memberd →Expected Features if Aromaticity is Present
- 18:0918:09, 30 January 2014 diff hist +2 Rep:Mod:heterocyclic5memberd →Expected Features if Aromaticity is Present
- 18:0918:09, 30 January 2014 diff hist +2 Rep:Mod:heterocyclic5memberd →Optimization of Thiophene (MP2 6-311G+(2d,p))
- 18:0918:09, 30 January 2014 diff hist +12 Rep:Mod:heterocyclic5memberd →Optimization (6-311G DFT)
- 18:0818:08, 30 January 2014 diff hist +2 Rep:Mod:heterocyclic5memberd →Optimization of Thiophene using MP2 method
- 18:0818:08, 30 January 2014 diff hist +10,250 Rep:Mod:heterocyclic5memberd →References
- 18:0518:05, 30 January 2014 diff hist +9,353 Rep:Mod:heterocyclic5memberd →Orbitals of Furan
- 18:0518:05, 30 January 2014 diff hist +25,612 Rep:Mod:heterocyclic5memberd →Analysis of Pyrrole
- 18:0118:01, 30 January 2014 diff hist −45,382 Rep:Mod:heterocyclic5memberd No edit summary
- 16:4016:40, 30 January 2014 diff hist +692 Rep:Mod:heterocyclic5memberd →NICS
- 16:2816:28, 30 January 2014 diff hist +17 Rep:Mod:heterocyclic5memberd →Comparison of the E2 Values
- 16:2616:26, 30 January 2014 diff hist +873 Rep:Mod:heterocyclic5memberd →What do the NICS Values Mean?
- 16:1516:15, 30 January 2014 diff hist +22 Rep:Mod:heterocyclic5memberd →Comparison of Molecular Orbitals
- 16:1116:11, 30 January 2014 diff hist −8 Rep:Mod:heterocyclic5memberd →Comparison of NICS Values
- 16:0516:05, 30 January 2014 diff hist +8 Rep:Mod:heterocyclic5memberd →Comparison of NICS Values
- 16:0316:03, 30 January 2014 diff hist +113 Rep:Mod:heterocyclic5memberd →Comparison of Molecular Orbitals
- 15:5815:58, 30 January 2014 diff hist +1,810 Rep:Mod:heterocyclic5memberd →Comparison of Molecular Orbitals
- 13:1513:15, 30 January 2014 diff hist +437 Rep:Mod:heterocyclic5memberd →Comparison of Bond Lengths
- 13:0013:00, 30 January 2014 diff hist +771 Rep:Mod:heterocyclic5memberd →Comparison of Bond Lengths
- 12:4912:49, 30 January 2014 diff hist +74 Rep:Mod:heterocyclic5memberd →Bond Length Comparison
- 12:4212:42, 30 January 2014 diff hist +73 Rep:Mod:heterocyclic5memberd →Comparison of Bond Lengths with Literature Data
- 12:3512:35, 30 January 2014 diff hist +158 Rep:Mod:heterocyclic5memberd →NICS
- 12:0812:08, 30 January 2014 diff hist −4 Rep:Mod:heterocyclic5memberd →NICS
- 10:5910:59, 30 January 2014 diff hist +29 Rep:Mod:heterocyclic5memberd →NICS
- 10:5810:58, 30 January 2014 diff hist +288 Rep:Mod:heterocyclic5memberd →NICS
29 January 2014
- 23:4123:41, 29 January 2014 diff hist +219 Rep:Mod:heterocyclic5memberd →NBO Analysis of Thiophene
- 23:4023:40, 29 January 2014 diff hist 0 N File:Thiophene OPT 6311G(DP) NBO1.log No edit summary current
- 23:3923:39, 29 January 2014 diff hist 0 N File:Thiophene 6311gdp NBOout.fchk No edit summary current
- 23:3823:38, 29 January 2014 diff hist +333 Rep:Mod:heterocyclic5memberd →NBO Analysis
- 23:3723:37, 29 January 2014 diff hist 0 N File:Pyrrole OPT 6311G(DP) NBO.log No edit summary current
- 23:3623:36, 29 January 2014 diff hist 0 N File:Pyrrole 6311gdp NBOout.fchk No edit summary current
- 23:3423:34, 29 January 2014 diff hist +628 Rep:Mod:heterocyclic5memberd →NBO Analysis of Furan
- 23:3323:33, 29 January 2014 diff hist 0 N File:Furan OPT 6311G(DP) NBO.log No edit summary current
- 23:3223:32, 29 January 2014 diff hist 0 N File:Furan 6311gdp NBOout.fchk No edit summary current
- 23:3023:30, 29 January 2014 diff hist 0 N File:Furan OPT MP2 2dpplus NBO output.log No edit summary current
- 23:2923:29, 29 January 2014 diff hist 0 N File:Furan OPT 6311G(DP) mp2 2dpplus POPoutput chkpoint.fchk No edit summary current
- 23:2723:27, 29 January 2014 diff hist +1 Rep:Mod:heterocyclic5memberd →NBO Analysis
- 23:2723:27, 29 January 2014 diff hist +317 Rep:Mod:heterocyclic5memberd →NBO Analysis
- 23:2723:27, 29 January 2014 diff hist 0 N File:Pyrrole OPT 6311G(DP) mp2 2dpplus POPoutput chkpoint.fchk No edit summary current
- 23:2123:21, 29 January 2014 diff hist 0 N File:Pyrrole OPT MP2 2dpplus NBO output.log No edit summary current
- 23:0723:07, 29 January 2014 diff hist +81 Rep:Mod:heterocyclic5memberd →Orbitals of Furan