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Uploads by Zn4318

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Date Name Thumbnail Size Description Versions
22:07, 22 May 2020 ZN 01510257 Q9 Figure 4.png (file) 56 KB Energy vs time plot of successful HF formation 1
22:04, 22 May 2020 ZN 01510257 Q9 Figure 2.png (file) 168 KB Surface plot of successful F + H2 reaction 1
21:58, 22 May 2020 ZN 01510257 Q9 Figure 1.png (file) 203 KB Contour plot for a successful F + H2 trajectory. 1
21:49, 22 May 2020 ZN 01510257 Q10 Figure7 2.gif (file) 718 KB The 7th gif in the table 1
21:47, 22 May 2020 ZN 01510257 Q10 Figure6 2.gif (file) 646 KB The 6th gif in the table 1
21:46, 22 May 2020 ZN 01510257 Q10 Figure5 2.gif (file) 1.38 MB The 5th gif in the table 1
21:45, 22 May 2020 ZN 01510257 Q10 Figure4 2.gif (file) 642 KB The 4th gif in the table 1
21:44, 22 May 2020 ZN 01510257 Q10 Figure3 2.gif (file) 715 KB The 3rd gif in the table 1
21:44, 22 May 2020 ZN 01510257 Q10 Figure2 2.gif (file) 508 KB The second gif in the table 1
21:43, 22 May 2020 ZN 01510257 Q10 Figure1 2.gif (file) 694 KB The 1st gif in the table 1
21:42, 22 May 2020 ZN 01510257 Q10 Figure 7 1.png (file) 203 KB The 7th contour plot in the table 1
21:41, 22 May 2020 ZN 01510257 Q10 Figure 6 1.png (file) 187 KB The 6th contour plot in the table 1
21:40, 22 May 2020 ZN 01510257 Q10 Figure 5 1.png (file) 208 KB The fifth contour plot in the table 1
21:40, 22 May 2020 ZN 01510257 Q10 Figure 4 1.png (file) 197 KB The 4th contour plot in the table 1
21:39, 22 May 2020 ZN 01510257 Q10 Figure 3 1.png (file) 201 KB The third contour plot in the table 1
21:38, 22 May 2020 ZN 01510257 Q10 Figure 2 1.png (file) 197 KB The second contour plot in the table 1
21:37, 22 May 2020 ZN 01510257 Q10 Figure 1 1.png (file) 193 KB The first contour plot in the table 1
21:13, 22 May 2020 ZN 01510257 Q8 Figure 2 2.png (file) 28 KB Energy vs time plot of 2nd situation zoomed in 1
21:10, 22 May 2020 ZN 01510257 Q8 Figure 2 1.png (file) 18 KB Energy vs time plot for 2nd situation 2
21:09, 22 May 2020 ZN 01510257 Q8 Figure 1 2.png (file) 23 KB Energy vs time plot zoomed in for first situation 1
21:08, 22 May 2020 ZN 01510257 Q8 Figure 1 1.png (file) 19 KB Energy vs time plot for the first system. 1
20:36, 22 May 2020 ZN 01510257 Q7 Figure 4.png (file) 15 KB Internuclear distance vs time plot of final approximation of the TS 1
20:35, 22 May 2020 ZN 01510257 Q7 Figure 3.png (file) 183 KB Final approximation for the TS for a FH + H system by ZN 1
20:26, 22 May 2020 ZN 01510257 Q7 Figure 2.png (file) 162 KB Second approximation for the transition state position. 1
20:21, 22 May 2020 ZN 01510257 Q7 Figure 1.png (file) 163 KB Dynamic calculation of first approximation of the HF + H TS. 1
19:53, 22 May 2020 ZN 01510257 Q6 Figure 1.png (file) 130 KB PES of FH + H system 2
18:52, 22 May 2020 ZN 01510257 Q3 Figure 5.png (file) 178 KB Dynamic calculated trajectory of the H2 + H system when displaced about r2 from TS. 1
18:31, 22 May 2020 ZN 01510257 Q3 Figure 4.png (file) 177 KB Reversed dynamic calculation of the H2 + H system slightly displaced from the TS. 1
18:30, 22 May 2020 ZN 01510257 Q4 Figure 4.png (file) 183 KB Reverted to version as of 09:31, 20 May 2020 3
18:19, 22 May 2020 ZN 01510257 Q3 Figure 3.png (file) 19 KB mep calculated energy vs time graph of H2+H reaction 1
18:06, 22 May 2020 ZN 01510257 Q3 Figure 2.png (file) 157 KB Dynamic trajectory of H2 + H reaction slightly displaced from the transition state. 1
18:02, 22 May 2020 ZN 01510257 Q3 Figure 1.png (file) 177 KB mep trajectory for H2 + H when the r1 distance is increased by 1 pm. 1
17:24, 22 May 2020 ZN 01510257 Q2 Figure 3.png (file) 13 KB Internuclear distance vs time graph for H2 + H system at transition state. 1
17:15, 22 May 2020 ZN 01510257 Q2 Figure 2.png (file) 20 KB Internuclear distance vs time plot at AB=BC=90 pm, no momenta in system. 1
17:05, 22 May 2020 ZN 01510257 Q2 Figure 1.png (file) 35 KB Inter-nuclear distance vs time plot of H2 + H system. AB+C system 1
15:52, 22 May 2020 ZN 01510257 Q1 Figure 2.png (file) 7 KB The determinant of the hessian matrix 1
15:29, 22 May 2020 ZN 01510257 Q1 Figure 1.png (file) 123 KB Saddle point 1
11:58, 21 May 2020 Test2 5.png (file) 60 KB testtt 2
09:32, 20 May 2020 ZN 01510257 Q4 Figure 5.png (file) 182 KB Surface plot of the 5th trajectory as shown in the table. 1
09:29, 20 May 2020 ZN 01510257 Q4 Figure 3.png (file) 179 KB Surface plot of the 3rd trajectory stated in the table. 1
09:26, 20 May 2020 ZN 01510257 Q4 Figure 2.png (file) 180 KB Surface plot of the seconds stated trajectory showin in table. 1
20:32, 19 May 2020 ZN 01510257 Q4 Figure 1.png (file) 179 KB Trajectory shown via a surface plot of the 1st set of conditions shown in the table. 1
13:14, 15 March 2019 Zn4318 n2 bondlength lit.pdf (file) 1.45 MB   1
12:22, 15 March 2019 Zn4318 n2 charge cam.png (file) 20 KB   1
12:16, 15 March 2019 ZN4318 N2 OPTIN POP CAM.LOG (file) 196 KB   1
12:16, 15 March 2019 Zn4318 n2 f1 cam.png (file) 18 KB   1
12:15, 15 March 2019 Zn4318 n2 displayvib cam.png (file) 12 KB   1
10:18, 15 March 2019 Zn4318 co mo 4.png (file) 130 KB   1
10:18, 15 March 2019 Zn4318 co mo 5.png (file) 137 KB   1
10:18, 15 March 2019 Zn4318 co mo 6.png (file) 138 KB   1
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