User contributions for Lhl17
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21 February 2019
- 10:0710:07, 21 February 2019 diff hist +5 Lhl17molmod2 →N2
- 10:0710:07, 21 February 2019 diff hist +9 Lhl17molmod2 →N2
- 10:0710:07, 21 February 2019 diff hist +4 Lhl17molmod2 →N2
- 10:0710:07, 21 February 2019 diff hist −2 Lhl17molmod2 →NH3
- 10:0610:06, 21 February 2019 diff hist +2 Lhl17molmod2 No edit summary
- 10:0510:05, 21 February 2019 diff hist +1 Lhl17molmod2 →NH3
- 10:0410:04, 21 February 2019 diff hist +1 Lhl17molmod2 No edit summary
- 10:0310:03, 21 February 2019 diff hist +5 Lhl17molmod2 →NH3
- 10:0010:00, 21 February 2019 diff hist −495 Lhl17molmod2 No edit summary
- 09:5609:56, 21 February 2019 diff hist −175 Lhl17molmod2 No edit summary
- 09:5209:52, 21 February 2019 diff hist −6 Lhl17molmod2 →NH3
- 09:5109:51, 21 February 2019 diff hist −6 Lhl17molmod2 No edit summary
- 09:4909:49, 21 February 2019 diff hist −6 Lhl17molmod2 No edit summary
18 February 2019
- 16:5116:51, 18 February 2019 diff hist +819 Lhl17molmod2 No edit summary
- 16:4116:41, 18 February 2019 diff hist +215 Lhl17molmod2 No edit summary
- 16:4016:40, 18 February 2019 diff hist 0 N File:LouiseLi sh2 charges.png No edit summary
- 16:3716:37, 18 February 2019 diff hist +216 Lhl17molmod2 No edit summary
- 16:3216:32, 18 February 2019 diff hist 0 N File:LOUISELI SH2 OPTF POP.LOG No edit summary current
- 16:3116:31, 18 February 2019 diff hist +775 Lhl17molmod2 No edit summary
- 16:2416:24, 18 February 2019 diff hist +7 Lhl17molmod2 →Optimisation
- 16:2316:23, 18 February 2019 diff hist +36 Lhl17molmod2 →NH3
- 16:2216:22, 18 February 2019 diff hist −40 Lhl17molmod2 No edit summary
- 16:2116:21, 18 February 2019 diff hist −5 Lhl17molmod2 No edit summary
- 16:1816:18, 18 February 2019 diff hist −11 Lhl17molmod2 No edit summary
- 16:1516:15, 18 February 2019 diff hist −22 Lhl17molmod2 No edit summary
- 16:1516:15, 18 February 2019 diff hist +38 Lhl17molmod2 No edit summary
- 12:1912:19, 18 February 2019 diff hist +193 Lhl17molmod2 No edit summary
- 12:0212:02, 18 February 2019 diff hist −9 Lhl17molmod2 No edit summary
- 12:0212:02, 18 February 2019 diff hist +227 Lhl17molmod2 No edit summary
- 11:5711:57, 18 February 2019 diff hist +213 Lhl17molmod2 No edit summary
- 11:5611:56, 18 February 2019 diff hist 0 N File:LOUISELI H2 OPTF POP.LOG No edit summary current
- 11:5411:54, 18 February 2019 diff hist 0 N File:LouiseLi h2 optf pop.chk No edit summary current
- 11:5311:53, 18 February 2019 diff hist +721 Lhl17molmod2 No edit summary
- 11:3611:36, 18 February 2019 diff hist +397 Lhl17molmod2 No edit summary
- 11:3411:34, 18 February 2019 diff hist 0 Lhl17molmod2 No edit summary
- 11:3311:33, 18 February 2019 diff hist 0 N File:LOUISELI N2 OPTF POP.LOG No edit summary
- 11:3211:32, 18 February 2019 diff hist +184 Lhl17molmod2 No edit summary
- 11:3011:30, 18 February 2019 diff hist +346 Lhl17molmod2 No edit summary
- 10:5610:56, 18 February 2019 diff hist +77 Lhl17molmod2 No edit summary
- 10:5410:54, 18 February 2019 diff hist +35 Lhl17molmod2 No edit summary
- 10:5210:52, 18 February 2019 diff hist 0 N File:LouiseLi nh3 vibrations.png No edit summary current
- 10:5210:52, 18 February 2019 diff hist 0 File:LouiseLi nh3 charges.png Lhl17 uploaded a new version of File:LouiseLi nh3 charges.png current
- 10:5110:51, 18 February 2019 diff hist 0 N File:LouiseLi nh3 charges.png No edit summary
- 10:5110:51, 18 February 2019 diff hist +12 Lhl17molmod2 No edit summary
- 10:4510:45, 18 February 2019 diff hist +402 Lhl17molmod2 No edit summary
- 10:1910:19, 18 February 2019 diff hist +27 Lhl17molmod2 No edit summary
- 10:1810:18, 18 February 2019 diff hist +183 Lhl17molmod2 No edit summary
- 10:1710:17, 18 February 2019 diff hist +22 N File:LOUISELI NH3 OPTF POP.LOG Optimised NH3 molecule current
- 10:1210:12, 18 February 2019 diff hist +729 N Lhl17molmod2 Created page with "NH3 What is the molecule? NH3 What is the calculation method? RB3LYP What is the basis set? 6-31G(d,p) What is the final energy E(RB3LYP) in atomic units (au)? -56.55776873 W..."
- 09:1709:17, 18 February 2019 diff hist +550 N Lhl17mm2 Created page with "We expect to see: key information about the calculation, such as method (eg B3LYP) basis set (eg 6-31G(d,p) and symmetry (eg C3v) the Item table copied and pasted into your wi..." current