User contributions for Mac716

10 May 2018

• 15:0515:05, 10 May 2018 diff hist +4 Rep:Mod:MAC01049979lab2 →Method and basis set: RB3LYP, 6-31G(d,p)
• 15:0515:05, 10 May 2018 diff hist 0 N File:2mac716 benzene summary sym.PNG No edit summary current
• 15:0115:01, 10 May 2018 diff hist −41 Rep:Mod:MAC01049979lab2 →Item table for optimisation
• 15:0015:00, 10 May 2018 diff hist +27 Rep:Mod:MAC01049979lab2 →Method and basis set: RB3LYP, 6-31G(d,p)
• 15:0015:00, 10 May 2018 diff hist 0 N File:2mac716 benzene summary.PNG No edit summary current
• 14:5914:59, 10 May 2018 diff hist +323 Rep:Mod:MAC01049979lab2 →Item table for optimisation
• 14:5514:55, 10 May 2018 diff hist +477 Rep:Mod:MAC01049979lab2 →Project - Benzene
• 14:5414:54, 10 May 2018 diff hist +497 Rep:Mod:MAC01049979lab2 →Jmol
• 14:3914:39, 10 May 2018 diff hist 0 Rep:Mod:MAC01049979lab2 →Type, Method and basis set: FOPT,Gen: RB3LYP for B and PP LANL2DZ for Br
• 14:3614:36, 10 May 2018 diff hist +29 Rep:Mod:MAC01049979lab2 →Type, Method and basis set:FOPT,RB3LYP, Gen
• 14:3314:33, 10 May 2018 diff hist +22 Rep:Mod:MAC01049979lab2 →Frequency analysis
• 14:3114:31, 10 May 2018 diff hist +36 Rep:Mod:MAC01049979lab2 →Frequency analysis
• 14:3114:31, 10 May 2018 diff hist +25 Rep:Mod:MAC01049979lab2 →Jmol
• 14:2814:28, 10 May 2018 diff hist +25 Rep:Mod:MAC01049979lab2 →Frequency analysis
• 14:2814:28, 10 May 2018 diff hist 0 N File:2mac716 BBr3 donefreq.log No edit summary current
• 14:2814:28, 10 May 2018 diff hist +47 Rep:Mod:MAC01049979lab2 →Frequency analysis
• 14:2714:27, 10 May 2018 diff hist 0 N File:2mac716 donefreq.PNG No edit summary current
• 14:2614:26, 10 May 2018 diff hist −1 Rep:Mod:MAC01049979lab2 →Frequency analysis
• 14:0414:04, 10 May 2018 diff hist −24 Rep:Mod:MAC01049979lab2 →Jmol
• 14:0414:04, 10 May 2018 diff hist +977 Rep:Mod:MAC01049979lab2 →BBr3
• 14:0014:00, 10 May 2018 diff hist 0 N File:2mac716 bbr3 summary.PNG No edit summary current
• 13:5613:56, 10 May 2018 diff hist +60 Rep:Mod:MAC01049979lab2 →BBr3
• 13:2413:24, 10 May 2018 diff hist +21 Rep:Mod:MAC01049979lab2 →Calculation for the energy of the N-B dative bond
• 13:2013:20, 10 May 2018 diff hist +20 Rep:Mod:MAC01049979lab2 →Calculation for the energy of the N-B dative bond

9 May 2018

• 17:0717:07, 9 May 2018 diff hist +445 Rep:Mod:MAC01049979lab2 →Calculation for the energy of the N-B dative bond
• 16:5816:58, 9 May 2018 diff hist +7 Rep:Mod:MAC01049979lab2 →Calculation for the energy of the N-B dative bond
• 16:5716:57, 9 May 2018 diff hist 0 Rep:Mod:MAC01049979lab2 →Jmol
• 16:5716:57, 9 May 2018 diff hist −9 Rep:Mod:MAC01049979lab2 →NH3BH3
• 16:5616:56, 9 May 2018 diff hist +79 Rep:Mod:MAC01049979lab2 →Calculation for the energy of the N-B dative bond
• 16:5516:55, 9 May 2018 diff hist −3 Rep:Mod:MAC01049979lab2 →BH3 molecule
• 16:5116:51, 9 May 2018 diff hist +85 Rep:Mod:MAC01049979lab2 →Jmol
• 16:4616:46, 9 May 2018 diff hist −8 Rep:Mod:MAC01049979lab2 →Jmol
• 16:4616:46, 9 May 2018 diff hist −5 Rep:Mod:MAC01049979lab2 →NH3BH3
• 16:4516:45, 9 May 2018 diff hist +591 Rep:Mod:MAC01049979lab2 →NH3BH3
• 16:4416:44, 9 May 2018 diff hist 0 N File:2MAC716 LEWISACID OPT COR.LOG No edit summary current
• 16:4416:44, 9 May 2018 diff hist 0 N File:2mac716pic2.PNG No edit summary current
• 16:4216:42, 9 May 2018 diff hist 0 N File:2mac716 summary3.PNG No edit summary current
• 16:2016:20, 9 May 2018 diff hist +7 Rep:Mod:MAC01049979lab2 →NH3BH3
• 16:1616:16, 9 May 2018 diff hist +394 Rep:Mod:MAC01049979lab2 →NH3BH3
• 16:1016:10, 9 May 2018 diff hist +62 Rep:Mod:MAC01049979lab2 →NH3BH3
• 15:5715:57, 9 May 2018 diff hist +49 Rep:Mod:MAC01049979lab2 →Jmol
• 15:5715:57, 9 May 2018 diff hist −24 Rep:Mod:MAC01049979lab2 →Jmol
• 15:5615:56, 9 May 2018 diff hist +148 Rep:Mod:MAC01049979lab2 →Frequency analysis
• 15:5415:54, 9 May 2018 diff hist +93 Rep:Mod:MAC01049979lab2 →Item table for optimisation
• 15:5415:54, 9 May 2018 diff hist 0 N File:2MAC716 NH3 2.LOG No edit summary current
• 15:5215:52, 9 May 2018 diff hist +27 Rep:Mod:MAC01049979lab2 →NH3 molecule
• 15:5215:52, 9 May 2018 diff hist 0 N File:2mac716 NH3 datasummary.PNG No edit summary current
• 15:5115:51, 9 May 2018 diff hist +381 Rep:Mod:MAC01049979lab2 →Item table for optimisation
• 15:4815:48, 9 May 2018 diff hist +399 Rep:Mod:MAC01049979lab2 →EX3
• 15:2515:25, 9 May 2018 diff hist +2 Rep:Mod:MAC01049979lab2 →Vibration spectrum of BH3