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Uploads by Zn4318

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Date Name Thumbnail Size Description Versions
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
10:18, 15 March 2019 Zn4318 co mo 7.png (file) 147 KB   1
10:17, 15 March 2019 Zn4318 co mo 8.png (file) 187 KB   1
09:58, 15 March 2019 Zn4318 co displayvib.png (file) 12 KB   1
09:58, 15 March 2019 Zn4318 co charge.png (file) 21 KB   1
09:56, 15 March 2019 ZN4318 CO OPTIN POP 2.LOG (file) 193 KB   1
09:56, 15 March 2019 Zn4318 co f1.png (file) 19 KB   1
20:22, 14 March 2019 Zn4318 h2 displayvib.png (file) 12 KB   1
20:21, 14 March 2019 Zn4318 h2 charge.png (file) 19 KB   1
20:18, 14 March 2019 ZN4318 H2 OPTIN POP.LOG (file) 95 KB   1
20:15, 14 March 2019 Zn4318 h2 f1.png (file) 14 KB   1
19:47, 14 March 2019 Zn4318 n2 monometallic.png (file) 63 KB   1
18:59, 14 March 2019 Zn4318 N2 displayvib.png (file) 12 KB   1
18:58, 14 March 2019 Zn4318 Displayvib nh3.png (file) 14 KB   1
18:56, 14 March 2019 ZN4318 N2 OPTIN POP.LOG (file) 196 KB   1
18:48, 14 March 2019 Zn4318 n2 charge.png (file) 18 KB   1
18:47, 14 March 2019 Zn4318 n2 f1.png (file) 18 KB   1
18:14, 14 March 2019 Zn4318 nh3 charge.png (file) 12 KB   1
17:58, 14 March 2019 Zn4318 nh3 f6.png (file) 14 KB   1
17:58, 14 March 2019 Zn4318 nh3 f5.png (file) 13 KB   1
17:55, 14 March 2019 Zn4318 nh3 f4.png (file) 13 KB   1
17:55, 14 March 2019 Zn4318 nh3 f3.png (file) 14 KB   1
17:54, 14 March 2019 Zn4318 nh3 f2.png (file) 10 KB   1
17:47, 14 March 2019 Zn4318 nh3 f1.png (file) 10 KB   1
11:21, 12 March 2019 ZNAJEEB4318 NH3 OPTIN POP.LOG (file) 228 KB NH3 molecule 1
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