User contributions for Sg2317
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23 May 2019
- 13:3913:39, 23 May 2019 diff hist −15 Sg2317hf →Summary
- 13:3313:33, 23 May 2019 diff hist 0 N File:Sg2317 n+ optimisation td summary.png No edit summary current
- 13:3213:32, 23 May 2019 diff hist +12 Sg2317hf →Summary
- 13:1813:18, 23 May 2019 diff hist −1 Sg2317hf →Link to log file
- 13:1613:16, 23 May 2019 diff hist 0 N File:Sg2317 p+ 631g td freq summary.png No edit summary current
- 13:1613:16, 23 May 2019 diff hist 0 N File:Sg2317 p+ 631g td freq.log No edit summary current
- 13:1513:15, 23 May 2019 diff hist +609 Sg2317hf →Ionic liquids, designer solvents
- 13:0513:05, 23 May 2019 diff hist 0 File:Sg2317 p+ 631g td.log Sg2317 uploaded a new version of File:Sg2317 p+ 631g td.log current
- 13:0313:03, 23 May 2019 diff hist 0 N File:Sg2317 p+ 631g td.log No edit summary
- 13:0013:00, 23 May 2019 diff hist 0 N File:Sg2317 p+ 631g summary.png No edit summary current
- 13:0013:00, 23 May 2019 diff hist −586 Sg2317hf →P[(CH3)4]+
- 12:5812:58, 23 May 2019 diff hist +1,264 Sg2317hf →Ionic liquids, designer solvents
22 May 2019
- 16:3316:33, 22 May 2019 diff hist 0 N File:Sg2317 n+ freq.log No edit summary current
- 16:3316:33, 22 May 2019 diff hist +3 Sg2317hf →=Low frequency
- 16:3216:32, 22 May 2019 diff hist 0 N File:Sg2317 n+ freq summary.png No edit summary current
- 16:2916:29, 22 May 2019 diff hist +706 Sg2317hf →N[(CH3)4]+
- 16:1216:12, 22 May 2019 diff hist 0 N File:Sg2317 ni+ tg.log No edit summary current
- 16:1116:11, 22 May 2019 diff hist −13 Sg2317hf →Link to log file
- 16:1016:10, 22 May 2019 diff hist −1 Sg2317hf →Item section of output
- 16:0916:09, 22 May 2019 diff hist 0 N File:Sg2317 ni3 optimisation tg.log No edit summary current
- 16:0816:08, 22 May 2019 diff hist 0 N File:Sg2317 ni3 td summary.png No edit summary current
- 16:0716:07, 22 May 2019 diff hist +569 Sg2317hf →Ionic liquids, designer solvents
- 16:0516:05, 22 May 2019 diff hist +31 Sg2317hf →Summary
- 16:0516:05, 22 May 2019 diff hist −1 Sg2317hf →Item section of output
- 15:4015:40, 22 May 2019 diff hist −182 Sg2317hf →Jmol image of optimised BH3
- 15:3915:39, 22 May 2019 diff hist +148 Sg2317hf →Link to log file
- 15:3715:37, 22 May 2019 diff hist +184 Sg2317hf →Summary
- 15:3615:36, 22 May 2019 diff hist −565 Sg2317hf →Ionic liquids, designer solvents
- 15:3615:36, 22 May 2019 diff hist +42 Sg2317hf →Section of file
- 15:3515:35, 22 May 2019 diff hist 0 N File:SG2317 NI3 631G PP BASISSETsg2317.log No edit summary current
- 15:3515:35, 22 May 2019 diff hist +523 Sg2317hf →Ionic liquids, designer solvents
- 15:2515:25, 22 May 2019 diff hist +353 Sg2317hf →Summary
- 15:2415:24, 22 May 2019 diff hist +2 Sg2317hf →Summary
- 15:2415:24, 22 May 2019 diff hist +22 Sg2317hf →NI3
- 15:2315:23, 22 May 2019 diff hist 0 N File:Sg2317 NI3 ppbs summary.png No edit summary current
- 15:2215:22, 22 May 2019 diff hist +28 Sg2317hf →NI3
- 14:5914:59, 22 May 2019 diff hist +18 Sg2317hf →Ionic liquids, designer solvents
- 14:4114:41, 22 May 2019 diff hist +38 Sg2317hf →Based on your energy calculation is the B-N bond weak, medium or strong? What comparison have you made to come to this conclusion?
- 13:5913:59, 22 May 2019 diff hist +195 Sg2317hf →Association energies calculations
- 13:5813:58, 22 May 2019 diff hist +587 Sg2317hf →Association energies calculations
- 13:3713:37, 22 May 2019 diff hist +3 Sg2317hf →Association energies calculations
- 13:3513:35, 22 May 2019 diff hist +122 Sg2317hf →Association energies calculations
- 12:5912:59, 22 May 2019 diff hist −30 Sg2317hf →Association energies calculations
- 12:5912:59, 22 May 2019 diff hist +6 Sg2317hf →Association energies calculations
- 12:5912:59, 22 May 2019 diff hist −3 Sg2317hf →Association energies calculations
- 12:5812:58, 22 May 2019 diff hist +6 Sg2317hf →Association energies calculations
- 12:5712:57, 22 May 2019 diff hist +3 Sg2317hf →Association energies calculations
- 12:5712:57, 22 May 2019 diff hist +118 Sg2317hf →Association energies calculations
- 12:5112:51, 22 May 2019 diff hist +67 Sg2317hf →Link to log file
- 12:5012:50, 22 May 2019 diff hist +10 Sg2317hf →NH3BH3 Frequency and MOs: 6-31G(d,p) level