Main public logs

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• 13:07, 11 March 2016 Nik13 talk contribs uploaded File:NIK13 TRANSITION STATES COPE BOATTS OPT+FREQ B3LYP631GD LOGMOS.LOG (JSmol (log) 1,5-hexadiene BOAT)
• 12:57, 11 March 2016 Nik13 talk contribs uploaded File:NIK13 TRANSITION STATES COPE CHAIRTS OPT+FREQ B3LYP631GD LOGMOS.LOG (JSmol (log) 1,5-hexadiene CHAIR)
• 12:30, 11 March 2016 Nik13 talk contribs uploaded a new version of File:NIK13 TRANSITION STATES BII CH13DENE-MALANH OPT+FREQ TSBERNY FC SEMIAM1 NOEIGEN EXO LOGMOS.LOG
• 12:08, 11 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States A 15hdene Opt HF321G anti2.mol (anti2 HF321G)
• 11:58, 11 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States A 15hdene Opt HF321G gauche3.mol (gauche3)
• 11:57, 11 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States A 15hdene Opt HF321G anti1.mol (anti1)
• 11:51, 11 March 2016 Nik13 talk contribs uploaded File:NIK13 TRANSITION STATES A COPE CHAIRTS OPT+FREQ B3LYP631GD.mol2 (chairTS)
• 11:50, 11 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States A Cope boatTS Opt+Freq B3LYP631Gd.mol (boatTS)
• 11:50, 11 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States A 15hdene Opt B3LYP631Gd anti2.mol2 (anti2)
• 11:35, 11 March 2016 Nik13 talk contribs uploaded File:NIK13 TRANSITION STATES BII CH13DENE-MALANH OPT+FREQ TSBERNY FC SEMIAM1 NOEIGEN EXO LOGMOS.LOG (JSmol file for cyclohexa-1,3-diene + maleic anhydride EXO)
• 11:31, 11 March 2016 Nik13 talk contribs uploaded File:NIK13 TRANSITION STATES BII CH13DENE-MALANH OPT+FREQ TSBERNY FC SEMIAM1 NOEIGEN ENDO LOGMOS.LOG (JSmol file cyclohexa-1,3-diene + maleic anhydride ENDO)
• 08:42, 11 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States A 15hdene Freq B3LYP631Gd anti2 predicted IR spectrum.png (Calculated IR spectrum for 1,5-hexadiene in the anti2 conformation.)
• 00:14, 11 March 2016 Nik13 talk contribs uploaded File:NIK13 TRANSITION STATES BII BDENE-EENE OPT+FREQ TSBERNY FC SEMIAM1 NOEIGEN LOGMOS.LOG (log (JSmol) file with MOs for the transition state of ethylene+butadiene)
• 23:37, 10 March 2016 Nik13 talk contribs uploaded File:NIK13 TRANSITION STATES BII BDENE-EENE OPT+FREQ TSBERNY FC SEMIAM1 NOEIGEN.LOG (log (JSmol) file for the transition state of ethylene+butadiene)
• 23:14, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bii bdene-eene Opt+Freq TSBerny FC semiAM1 NoEigen.mol (MDL (JSmol) file for the transition state of ethylene+butadiene)
• 21:56, 10 March 2016 Nik13 talk contribs uploaded a new version of File:Nik13 Transition States Bi bdene OptMin semiAM1 HOMO.png (HOMO of cis-butadiene, calculated at semi-empirical AM1 level.)
• 21:54, 10 March 2016 Nik13 talk contribs uploaded a new version of File:Nik13 Transition States Bi bdene OptMin semiAM1 LUMO.png (LUMO of cis-butadiene, calculated at semi-empirical AM1 level.)
• 21:21, 10 March 2016 Nik13 talk contribs uploaded a new version of File:Nik13 Transition States Bii bdene-eene Opt+Freq TSBerny FC semiAM1 NoEigen LUMO.png (LUMO of butadiene+ethylene transition state, calculated at semi-empirical AM1 level.)
• 15:32, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bii ch13dene-malanh Opt+Freq TSBerny FC semiAM1 NoEigen Exo HOMO top.png (HOMO of cyclohexa-1,3-diene+malaic anhydride exo transition state (top view), calculated at semi-empirical AM1 level.)
• 15:31, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bii ch13dene-malanh Opt+Freq TSBerny FC semiAM1 NoEigen Exo HOMO side.png (HOMO of cyclohexa-1,3-diene+malaic anhydride exo transition state (side view), calculated at semi-empirical AM1 level.)
• 15:30, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bii ch13dene-malanh Opt+Freq TSBerny FC semiAM1 NoEigen Endo HOMO top.png (HOMO of cyclohexa-1,3-diene+malaic anhydride endo transition state (top view), calculated at semi-empirical AM1 level.)
• 15:27, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bii ch13dene-malanh Opt+Freq TSBerny FC semiAM1 NoEigen Endo HOMO side.png (HOMO of cyclohexa-1,3-diene+malaic anhydride endo transition state, calculated at semi-empirical AM1 level.)
• 15:24, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bii bdene-eene Opt+Freq TSBerny FC semiAM1 NoEigen LUMO.png (LUMO of butadiene+ethylene transition state, calculated at semi-empirical AM1 level.)
• 15:23, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bii bdene-eene Opt+Freq TSBerny FC semiAM1 NoEigen HOMO.png (HOMO of butadiene+ethylene transition state, calculated at semi-empirical AM1 level.)
• 15:21, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bi eene OptMin semiAM1 LUMO.png (LUMO of ethylene, calculated at semi-empirical AM1 level.)
• 15:19, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bi eene OptMin semiAM1 HOMO.png (HOMO of ethylene, calculated at semi-empirical AM1 level.)
• 15:16, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bi bdene OptMin semiAM1 LUMO.png (LUMO of butadiene, calculated at semi-empirical AM1 level.)
• 15:13, 10 March 2016 Nik13 talk contribs uploaded File:Nik13 Transition States Bi bdene OptMin semiAM1 HOMO.png (HOMO of butadiene, calculated at semi-empirical AM1 level.)