User contributions for Dp2615

12:3412:34, 3 May 2017 diff hist +54 Mrd:dp2615 No edit summary
12:3212:32, 3 May 2017 diff hist +317 Mrd:dp2615 No edit summary Tag: Visual edit
12:2912:29, 3 May 2017 diff hist 0 Mrd:dp2615 No edit summary
12:2912:29, 3 May 2017 diff hist 0 Mrd:dp2615 No edit summary
12:2812:28, 3 May 2017 diff hist +29 Mrd:dp2615 No edit summary
12:2712:27, 3 May 2017 diff hist 0 N File:Dp2615TSestimate.PNG No edit summary current
12:2712:27, 3 May 2017 diff hist +194 Mrd:dp2615 No edit summary Tag: Visual edit

15:5515:55, 2 May 2017 diff hist +208 Mrd:dp2615 No edit summary Tag: Visual edit
15:3715:37, 2 May 2017 diff hist +32 Mrd:dp2615 No edit summary Tag: Visual edit
15:3515:35, 2 May 2017 diff hist +139 Mrd:dp2615 No edit summary Tag: Visual edit
15:1515:15, 2 May 2017 diff hist +860 N Mrd:dp2615 Created page with " Dynamics of the transition state region: The transition state of a potential energy surface can be identified by its total gradient. Its first derivative with respect to bot..."

17:3317:33, 4 March 2016 diff hist −1 My modelling No edit summary
17:3217:32, 4 March 2016 diff hist −1 My modelling →Nitrogen optimisation:
17:2817:28, 4 March 2016 diff hist +2 My modelling →3.Molecular orbitals
17:2817:28, 4 March 2016 diff hist +1 My modelling →2.Frequency and vibrational analysis, and atomic charges
17:2717:27, 4 March 2016 diff hist −2 My modelling →3.Molecular orbitals
17:2717:27, 4 March 2016 diff hist +20 My modelling →2.Frequency and vibrational analysis
17:2717:27, 4 March 2016 diff hist +1 My modelling →Reaction energies
17:2617:26, 4 March 2016 diff hist −1 My modelling →Energy calculation
17:2617:26, 4 March 2016 diff hist +2 My modelling →Energy calculation
17:2217:22, 4 March 2016 diff hist +4 My modelling →3.Molecular orbitals
17:2217:22, 4 March 2016 diff hist +9 My modelling →3.Molecular orbitals
17:2217:22, 4 March 2016 diff hist +3 My modelling →3.Molecular orbitals
17:2117:21, 4 March 2016 diff hist +3 My modelling →3.Molecular orbitals
17:2117:21, 4 March 2016 diff hist −2 My modelling →2.Frequency and vibrations analysis, and atomic charges
17:2017:20, 4 March 2016 diff hist −4 My modelling →2.Frequency and vibrations analysis, and atomic charges
17:2017:20, 4 March 2016 diff hist +8 My modelling →2.Frequency and vibrations analysis, and atomic charges
17:0517:05, 4 March 2016 diff hist −10 My modelling →3.Molecular orbitals
17:0217:02, 4 March 2016 diff hist −1 My modelling →1.Properties
17:0217:02, 4 March 2016 diff hist −2 My modelling →1.Properties
17:0117:01, 4 March 2016 diff hist +4 My modelling →Energy calculation
17:0017:00, 4 March 2016 diff hist +7 My modelling No edit summary
16:5816:58, 4 March 2016 diff hist +921 My modelling No edit summary
16:4116:41, 4 March 2016 diff hist +39 My modelling No edit summary
16:3016:30, 4 March 2016 diff hist +24 My modelling No edit summary
16:2316:23, 4 March 2016 diff hist 0 N File:Dpmo8.png No edit summary current
16:2316:23, 4 March 2016 diff hist +465 My modelling No edit summary
16:0616:06, 4 March 2016 diff hist +1,049 My modelling No edit summary
15:4715:47, 4 March 2016 diff hist 0 N File:Dpmo7.png No edit summary current
15:4615:46, 4 March 2016 diff hist 0 N File:Dpmo6.png No edit summary current
15:4515:45, 4 March 2016 diff hist 0 N File:Dpmo3.png No edit summary current
15:4515:45, 4 March 2016 diff hist 0 N File:Dpmo2.png No edit summary current
15:4415:44, 4 March 2016 diff hist 0 N File:Dpmo1.png No edit summary current
15:4415:44, 4 March 2016 diff hist −7 My modelling No edit summary
15:3515:35, 4 March 2016 diff hist −12 My modelling No edit summary
15:3215:32, 4 March 2016 diff hist −15 My modelling No edit summary
15:2915:29, 4 March 2016 diff hist +25 My modelling No edit summary
15:2815:28, 4 March 2016 diff hist 0 N File:MO1DIANA.png No edit summary current
15:2615:26, 4 March 2016 diff hist +652 My modelling No edit summary
14:5814:58, 4 March 2016 diff hist 0 N File:Hclspectrum.png No edit summary current

3 May 2017

2 May 2017

4 March 2016