User contributions for Js3311
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7 March 2014
- 13:3213:32, 7 March 2014 diff hist 0 Rep:Mod:js3311inorgcompminiproj →Effect of functional groups on HOMO and LUMO
- 13:3113:31, 7 March 2014 diff hist +1 Rep:Mod:js3311inorgcompminiproj →Effect of functional groups on charge distribution
- 13:3113:31, 7 March 2014 diff hist 0 Rep:Mod:js3311inorgcompminiproj →Optimisation and frequency analysis
- 13:3013:30, 7 March 2014 diff hist −2 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 13:1813:18, 7 March 2014 diff hist +410 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 13:0813:08, 7 March 2014 diff hist +4 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 13:0613:06, 7 March 2014 diff hist +988 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 12:0112:01, 7 March 2014 diff hist 0 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 11:4311:43, 7 March 2014 diff hist +4 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 11:4311:43, 7 March 2014 diff hist +58 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 11:3911:39, 7 March 2014 diff hist +6 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 11:3811:38, 7 March 2014 diff hist +271 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 00:2400:24, 7 March 2014 diff hist −2 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 00:2400:24, 7 March 2014 diff hist −1 Rep:Mod:js3311inorgcompminiproj →Effect of functional groups on HOMO and LUMO
- 00:2400:24, 7 March 2014 diff hist −2 Rep:Mod:js3311inorgcompminiproj →Effect of functional groups on charge distribution
- 00:2300:23, 7 March 2014 diff hist −4 Rep:Mod:js3311inorgcompminiproj →Optimisation and frequency analysis
- 00:2300:23, 7 March 2014 diff hist −2 Rep:Mod:js3311inorgcompminiproj →NBO Discussion
- 00:2300:23, 7 March 2014 diff hist −2 Rep:Mod:js3311inorgcompminiproj →MO Discussion
- 00:2200:22, 7 March 2014 diff hist −14 Rep:Mod:js3311inorgcompminiproj →Optimisation and frequency analysis
- 00:2100:21, 7 March 2014 diff hist +79 Rep:Mod:js3311inorgcompminiproj →Effect of functional groups on HOMO and LUMO
- 00:1700:17, 7 March 2014 diff hist +869 Rep:Mod:js3311inorgcompminiproj →Effect of functional groups on HOMO and LUMO
6 March 2014
- 23:5423:54, 6 March 2014 diff hist +273 Rep:Mod:js3311inorgcompminiproj →Effect of functional groups on HOMO and LUMO
- 23:2023:20, 6 March 2014 diff hist −6 Rep:Mod:js3311inorgcomp →Molecular orbital of BH3
- 23:1923:19, 6 March 2014 diff hist −1 Rep:Mod:js3311inorgcomp →Optimisation and frequency analysis
- 23:1823:18, 6 March 2014 diff hist −1 Rep:Mod:js3311inorgcomp →Optimisation and frequency analysis
- 23:1823:18, 6 March 2014 diff hist −1 Rep:Mod:js3311inorgcomp →Molecular orbital of BH3
- 23:1723:17, 6 March 2014 diff hist −2 Rep:Mod:js3311inorgcomp →Comparison of results between BH3 and GaBr3
- 23:1623:16, 6 March 2014 diff hist −3 Rep:Mod:js3311inorgcomp →GaBr3 Frequency analysis
- 23:1523:15, 6 March 2014 diff hist −6 Rep:Mod:js3311inorgcomp →BH3 Frequency analysis
- 23:1423:14, 6 March 2014 diff hist −2 Rep:Mod:js3311inorgcomp →Structural analysis of various compounds
- 23:1423:14, 6 March 2014 diff hist −4 Rep:Mod:js3311inorgcomp →A combination of both basis sets and pseudo-potentials
- 23:1423:14, 6 March 2014 diff hist −4 Rep:Mod:js3311inorgcomp →Using pseudo-potentials for larger molecules
- 23:1323:13, 6 March 2014 diff hist −10 Rep:Mod:js3311inorgcomp →Calculations involving basis sets
- 23:1323:13, 6 March 2014 diff hist −2 Rep:Mod:js3311inorgcomp →Molecular orbital of BH3
- 23:1223:12, 6 March 2014 diff hist −2 Rep:Mod:js3311inorgcomp →GaBr3 Frequency analysis
- 23:1223:12, 6 March 2014 diff hist −4 Rep:Mod:js3311inorgcomp →BH3 Frequency analysis
- 23:1123:11, 6 March 2014 diff hist −4 Rep:Mod:js3311inorgcomp →Charge distribution of NH3
- 23:0423:04, 6 March 2014 diff hist +1,059 Rep:Mod:js3311inorgcomp →Comparison of results between BH3 and GaBr3
- 22:2922:29, 6 March 2014 diff hist −82 Rep:Mod:js3311inorgcomp →Association energy of NH3BH3
- 22:2922:29, 6 March 2014 diff hist −21 Rep:Mod:js3311inorgcomp →Association energy of NH3BH3
- 22:2822:28, 6 March 2014 diff hist +1 Rep:Mod:js3311inorgcomp →References
- 22:2822:28, 6 March 2014 diff hist 0 Rep:Mod:js3311inorgcomp →References
- 22:2722:27, 6 March 2014 diff hist +13 Rep:Mod:js3311inorgcomp →References
- 22:2722:27, 6 March 2014 diff hist +99 Rep:Mod:js3311inorgcomp →Using pseudo-potentials for larger molecules
- 22:1822:18, 6 March 2014 diff hist +72 Rep:Mod:js3311inorgcomp →Year 3 Inorganic Computational Part 1
- 22:1822:18, 6 March 2014 diff hist +19 Rep:Mod:js3311inorgcompminiproj →MO and NBO calculation
- 22:1722:17, 6 March 2014 diff hist +1 Rep:Mod:js3311inorgcompminiproj →MO and NBO calculations
- 22:1722:17, 6 March 2014 diff hist +17 Rep:Mod:js3311inorgcompminiproj →MO and NBO calculations
- 17:4517:45, 6 March 2014 diff hist +52 Rep:Mod:js3311inorgcompminiproj →Optimisation and frequency analysis
- 17:4317:43, 6 March 2014 diff hist +50 Rep:Mod:js3311inorgcomp →Population analysis