User contributions for Pp4717

09:5509:55, 9 March 2018 diff hist −1 Rep:Mod:01333428 No edit summary
09:2909:29, 9 March 2018 diff hist 0 File:Vibrationso2.png Pp4717 uploaded a new version of File:Vibrationso2.png current
09:2609:26, 9 March 2018 diff hist +1 Rep:Mod:01333428 No edit summary
09:2509:25, 9 March 2018 diff hist 0 N File:Vibrationso2.png No edit summary
09:2309:23, 9 March 2018 diff hist 0 N File:Vibrationo2.png No edit summary current
09:2209:22, 9 March 2018 diff hist −1 Rep:Mod:01333428 No edit summary
09:1909:19, 9 March 2018 diff hist −517 Rep:Mod:01333428 No edit summary
09:1709:17, 9 March 2018 diff hist 0 N File:PRIYA1 O2 OPTF POP.LOG No edit summary current
09:1609:16, 9 March 2018 diff hist +797 Rep:Mod:01333428 No edit summary

16:5016:50, 8 March 2018 diff hist −935 Rep:Mod:01333428 No edit summary
11:4411:44, 8 March 2018 diff hist +59 Rep:Mod:01333428 No edit summary
11:4211:42, 8 March 2018 diff hist +27 Rep:Mod:01333428 No edit summary
11:4011:40, 8 March 2018 diff hist 0 N File:Vibrationscl2.png No edit summary current
11:3411:34, 8 March 2018 diff hist +185 Rep:Mod:01333428 No edit summary
11:3311:33, 8 March 2018 diff hist 0 N File:PRIYA CL2 OPTF POP.LOG No edit summary current
11:3111:31, 8 March 2018 diff hist +347 Rep:Mod:01333428 No edit summary

18:1718:17, 7 March 2018 diff hist +225 Rep:Mod:01333428 No edit summary
17:5117:51, 7 March 2018 diff hist +43 Rep:Mod:01333428 No edit summary
17:5017:50, 7 March 2018 diff hist +180 Rep:Mod:01333428 No edit summary
17:4017:40, 7 March 2018 diff hist +52 Rep:Mod:01333428 No edit summary
17:3517:35, 7 March 2018 diff hist +6 Rep:Mod:01333428 No edit summary
17:3117:31, 7 March 2018 diff hist +1,684 Rep:Mod:01333428 No edit summary
17:2717:27, 7 March 2018 diff hist +67 Rep:Mod:N201333428 No edit summary
17:2717:27, 7 March 2018 diff hist +26 Rep:Mod:N201333428 No edit summary
17:2617:26, 7 March 2018 diff hist 0 N File:Vibrationsn2.png No edit summary current
17:2117:21, 7 March 2018 diff hist +184 Rep:Mod:N201333428 No edit summary
17:1917:19, 7 March 2018 diff hist 0 N File:PRIYA1 N2 OPTF POP.LOG No edit summary current
17:1817:18, 7 March 2018 diff hist +333 Rep:Mod:N201333428 No edit summary
17:1117:11, 7 March 2018 diff hist +240 N Rep:Mod:N201333428 Created page with "'''Nitrogen molecule.''' '''Calculation method: '''RB3LYP '''Basis set: '''6-31G(d,p) '''Final energy E(RB3LYP) in atomic units (au):'''- -109.52412868 '''RMS gradient: ''..." Tag: Visual edit
16:4116:41, 7 March 2018 diff hist +59 Rep:Mod:h201333428 No edit summary
16:3116:31, 7 March 2018 diff hist 0 File:Vibrationsh2.png Pp4717 uploaded a new version of File:Vibrationsh2.png current
16:2916:29, 7 March 2018 diff hist −20 Rep:Mod:h201333428 No edit summary
16:2816:28, 7 March 2018 diff hist 0 N File:Vibrationsh2.png No edit summary
16:2516:25, 7 March 2018 diff hist 0 Rep:Mod:h201333428 No edit summary
16:2416:24, 7 March 2018 diff hist 0 Rep:Mod:h201333428 No edit summary
16:2416:24, 7 March 2018 diff hist 0 Rep:Mod:h201333428 No edit summary
16:2316:23, 7 March 2018 diff hist +46 Rep:Mod:h201333428 No edit summary
16:1716:17, 7 March 2018 diff hist 0 N File:Screenshoth2.png No edit summary current
16:1116:11, 7 March 2018 diff hist +184 Rep:Mod:h201333428 No edit summary
16:0416:04, 7 March 2018 diff hist 0 N File:PRIYA1 H2 OPTF POP.LOG No edit summary current
15:5815:58, 7 March 2018 diff hist +385 Rep:Mod:h201333428 No edit summary Tag: Visual edit: Switched
15:5615:56, 7 March 2018 diff hist +177 N Rep:Mod:h201333428 Created page with "H2 molecule Calculation method:RB3LYP Basis set: 6-31G(d,p) Final energy E(RB3LYP) in atomic units (au):-1.17853930 RMS gradient:0.00012170 Point group:dinfh Bond length:0.74309"
15:4915:49, 7 March 2018 diff hist +662 N Rep:Mod:h20133428 Created page with "'''H2 Molecule''' '''Calculation method: '''RB3LYP '''Basis set:''' 6-31G(d,p) '''Final energy''' '''E(RB3LYP) in atomic units (a.u):''' -1.17853930 '''RMS Gradient: '''0...." Tag: Visual edit: Switched
14:0014:00, 7 March 2018 diff hist +479 Rep:Mod:01333428 No edit summary

11:5511:55, 5 March 2018 diff hist +84 Rep:Mod:01333428 No edit summary
11:4611:46, 5 March 2018 diff hist +25 Rep:Mod:01333428 No edit summary
11:4611:46, 5 March 2018 diff hist 0 File:Vibrations.png Pp4717 uploaded a new version of File:Vibrations.png
11:4511:45, 5 March 2018 diff hist 0 File:Vibrations.png Pp4717 uploaded a new version of File:Vibrations.png
11:4411:44, 5 March 2018 diff hist +694 N Rep:Mod:01333428 Created page with "'''NH<sub>3</sub> molecule.''' Calculation method: RB3LYP Basis set: 6-31G(d,p) Final energy in atomic units (a.u): -56.55776873 Point group: C3<sub>v</sub> <pre>..." Tag: Visual edit: Switched
11:0211:02, 5 March 2018 diff hist 0 N File:PRIYA PHUNT NH3 OPTF POP.LOG No edit summary current

9 March 2018

8 March 2018

7 March 2018

5 March 2018