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Uploads by Sjp115

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Date Name Thumbnail Size Description Versions
14:20, 20 March 2018 SJP115 DIENE B3LYP 631GD.LOG (file) 1.24 MB   1
10:22, 20 March 2018 SJP115 Reaction Scheme EX2.PNG (file) 8 KB   1
21:40, 19 March 2018 SJP115 Exercise2 Endo Mo.PNG (file) 53 KB   1
21:16, 19 March 2018 SJP115 Extension IRC Path.gif (file) 1.04 MB   1
20:58, 19 March 2018 SJP115 Extension TS PM6 2.LOG (file) 1.57 MB   1
20:03, 19 March 2018 SJP115 Ex3 Endo TS B3LYP 631GD NOPTEIGEN.LOG (file) 3.69 MB   1
19:50, 19 March 2018 SJP115 Ex2 Exo TS B3LYP 631GD.LOG (file) 3.55 MB   1
19:37, 19 March 2018 SJP115 Reaction Scheme Ex3.PNG (file) 15 KB   1
19:23, 19 March 2018 SJP115 Reaction Energies Exercise 3.PNG (file) 22 KB   1
15:59, 19 March 2018 SJP115 Alternative Path Endo EX3.gif (file) 175 KB   1
15:58, 19 March 2018 SJP115 Alternative Path Exo EX3.gif (file) 177 KB   1
15:48, 19 March 2018 SJP115 Cheleo Correct Order Exercise 3.gif (file) 970 KB   1
15:41, 19 March 2018 SJP115 EXO Correct Order Exercise 3.gif (file) 588 KB   3
14:34, 19 March 2018 SJP115 Bond Distance Graph.PNG (file) 20 KB   1
10:03, 19 March 2018 SJP115 DIOXANE BY3.LOG (file) 866 KB   1
09:08, 19 March 2018 SJP115 TS PM6 2.LOG (file) 360 KB   1
09:03, 19 March 2018 SJP115 BUTADIENE PM6 2.LOG (file) 195 KB   1
09:02, 19 March 2018 SJP115 BUTADIENE PM6.LOG (file) 195 KB   1
17:39, 10 March 2018 SJP115 Exercise1 RX Scheme.PNG (file) 5 KB   1
17:31, 10 March 2018 SJP115 TS PM6 SYMBROKEN2.LOG (file) 672 KB   1
17:31, 10 March 2018 SJP115 ETHENE.LOG (file) 122 KB   1
17:29, 10 March 2018 SJP115 TS IRC.LOG (file) 812 KB   1
17:27, 10 March 2018 SJP115 TS PM6.LOG (file) 378 KB   1
17:26, 10 March 2018 TS PM6 SYMBROKEN.LOG (file) 672 KB   3
17:23, 10 March 2018 SJP115 BUTADIENE2.LOG (file) 162 KB   1
19:35, 10 February 2018 MgO Comparison.PNG (file) 17 KB   3
17:48, 10 February 2018 MgO MD Alpha.PNG (file) 24 KB   2
14:14, 9 February 2018 MgO Alpha Lit MD.PNG (file) 64 KB   1
10:59, 9 February 2018 MgO DOS equation.PNG (file) 2 KB   1
17:55, 8 February 2018 MgO MD Volume Lit.PNG (file) 43 KB   1
13:47, 8 February 2018 MgO molecular dynamics Volume.PNG (file) 23 KB   1
12:05, 8 February 2018 MgO Temp Harmonic Well.PNG (file) 20 KB   1
11:11, 8 February 2018 MgO Volumetric Expansion Coefficient.PNG (file) 26 KB   1
09:34, 8 February 2018 Mg FE 2.PNG (file) 6 KB   1
09:28, 8 February 2018 MgO FE.PNG (file) 40 KB   1
21:25, 7 February 2018 Screenshot from 2018-02-07 21-24-08.png (file) 45 KB   1
16:26, 7 February 2018 Screenshot from 2018-02-07 16-25-17.png (file) 9 KB   1
15:37, 7 February 2018 Screenshot from 2018-02-07 15-36-03.png (file) 27 KB   1
14:27, 6 February 2018 MgO Linear Expansion.PNG (file) 18 KB   1
13:40, 6 February 2018 MgO Model MD.PNG (file) 151 KB   1
12:48, 6 February 2018 MgO MD Vs LD.PNG (file) 27 KB   1
12:24, 6 February 2018 MgO Linear Fit.PNG (file) 20 KB   1
19:46, 5 February 2018 MgO Lattice Constant Vs Temp.PNG (file) 18 KB   2
19:22, 5 February 2018 MgO Temp Vs Conventional Cell.PNG (file) 17 KB   1
17:23, 5 February 2018 MgO Frequency Eq.PNG (file) 3 KB   1
16:30, 5 February 2018 MgO Reference Phonon Dispersion.PNG (file) 31 KB   2
16:04, 5 February 2018 MgO Thermal Expansion Eq.PNG (file) 2 KB   1
15:42, 5 February 2018 MgO Helmholtz Free Energy Equation.PNG (file) 7 KB   1
14:53, 5 February 2018 MgO Free Energy With Grid Size.PNG (file) 14 KB   1
12:26, 5 February 2018 MgO Primitive Cell.PNG (file) 11 KB   1
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