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14:13, 10 May 2018
JR NH3BH3 VIB.LOG
(
file
)
181 KB
1
14:11, 10 May 2018
JR NH3 VIB.LOG
(
file
)
73 KB
1
14:10, 10 May 2018
JR BBr3 VIB 2.log
(
file
)
8 KB
1
14:08, 10 May 2018
JR BORAZINE SYM FREQ.LOG
(
file
)
125 KB
1
14:07, 10 May 2018
JR BENZENE SYM FREQ.LOG
(
file
)
131 KB
1
12:51, 10 May 2018
Borazine MO 3(jr1416).PNG
(
file
)
32 KB
1
12:49, 10 May 2018
Borazine MO 2(jr1416).PNG
(
file
)
26 KB
1
12:48, 10 May 2018
Borazine MO 1(jr1416).PNG
(
file
)
20 KB
1
12:39, 10 May 2018
Benzene MO 3(jr1416).PNG
(
file
)
41 KB
1
12:36, 10 May 2018
Benzene MO 2(jr1416).PNG
(
file
)
41 KB
1
12:30, 10 May 2018
Benzene MO 1(jr1416).PNG
(
file
)
35 KB
1
12:12, 10 May 2018
Borazine Charge Analysis Colour(jr1416).PNG
(
file
)
37 KB
2
12:11, 10 May 2018
Benzene Charge Analysis Colour(jr1416).PNG
(
file
)
32 KB
2
12:09, 10 May 2018
Borazine Charge Analysis No(jr1416).PNG
(
file
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49 KB
1
12:07, 10 May 2018
Benzene Charge Analysis No(jr1416).PNG
(
file
)
48 KB
1
11:54, 10 May 2018
Borazine Charge Analysis(jr1416).PNG
(
file
)
39 KB
1
11:54, 10 May 2018
Benzene Charge Analaysis(jr1416).PNG
(
file
)
43 KB
1
11:46, 10 May 2018
JR BORAZINE SYM OPT.LOG
(
file
)
108 KB
1
11:45, 10 May 2018
Borazine Summary Table(jr1416).PNG
(
file
)
8 KB
1
11:08, 10 May 2018
JR BENZENE OPT.LOG
(
file
)
61 KB
1
11:06, 10 May 2018
Benzene Summary table(jr1416).PNG
(
file
)
9 KB
1
10:17, 10 May 2018
JR BBr3 OPT 3.log
(
file
)
50 KB
1
10:16, 10 May 2018
JR BBr3 Summary table 2.PNG
(
file
)
8 KB
1
09:38, 10 May 2018
BBr3 Summary table(jr1416).PNG
(
file
)
10 KB
2
09:36, 10 May 2018
JR BBr3 OPTVIB 1.log
(
file
)
293 KB
1
16:42, 9 May 2018
JR BBr3 OPT.log
(
file
)
49 KB
1
15:43, 9 May 2018
JR NH3BH3 OPT.LOG
(
file
)
152 KB
1
15:25, 9 May 2018
Jr1416 BH3 optimization.txt
(
file
)
459 bytes
1
15:15, 9 May 2018
JR NH3 OPT.LOG
(
file
)
78 KB
1
13:40, 9 May 2018
NH3BH3 optimization summary(jr1416).PNG
(
file
)
11 KB
1
13:21, 9 May 2018
NH3 optimization Summary(jr1416).PNG
(
file
)
9 KB
1
15:59, 8 May 2018
Final BH3 MO(jr1416).PNG
(
file
)
160 KB
1
15:16, 8 May 2018
BH3 IR spectrum(jr1416).PNG
(
file
)
19 KB
1
14:51, 8 May 2018
JR BH3 FREQ.mol
(
file
)
446 bytes
1
14:47, 8 May 2018
JR BH3 FREQ.LOG
(
file
)
73 KB
1
14:38, 8 May 2018
BH3 summary table(jr1416).PNG
(
file
)
21 KB
1
11:43, 4 May 2018
H2 reacting with F energy vs time(jr1416).png
(
file
)
18 KB
1
09:53, 4 May 2018
Momenta vs time for HF(jr1416).png
(
file
)
56 KB
1
09:37, 4 May 2018
Reactive conditions(jr1416).png
(
file
)
110 KB
1
16:59, 3 May 2018
HF and H reaction surface plot(jr1416).png
(
file
)
84 KB
1
16:41, 3 May 2018
HF and H reaction(jr1416).png
(
file
)
17 KB
1
14:57, 3 May 2018
F and H2 surface plot(jr1416).png
(
file
)
104 KB
1
14:50, 3 May 2018
Trajectory 5(jr1416).png
(
file
)
81 KB
1
14:04, 3 May 2018
Trajectory 4(jr1416).png
(
file
)
80 KB
1
13:59, 3 May 2018
Trajectory 3(jr1416).png
(
file
)
77 KB
1
13:48, 3 May 2018
Trajectory 2(jr1416).png
(
file
)
74 KB
1
13:36, 3 May 2018
Trajectory 1(jr1416).png
(
file
)
73 KB
1
13:34, 3 May 2018
MEP trajectory(jr1416).png
(
file
)
79 KB
1
13:31, 3 May 2018
Dynamic trajectory(jr1416).png
(
file
)
83 KB
1
13:29, 3 May 2018
Internuclear distances at TS(jr1416).png
(
file
)
10 KB
1
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