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Name
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17:33, 7 May 2017
Dynamics surface plot wcc14gee.PNG
(
file
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109 KB
1
17:33, 7 May 2017
H + H2 wcc14 gee.png
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file
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21 KB
1
17:33, 7 May 2017
Initial distance vs time wcc14gee.PNG
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file
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56 KB
1
17:33, 7 May 2017
MEP surface plot wcc14gee.PNG
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109 KB
1
17:33, 7 May 2017
Ts distance vs time wcc14gee.PNG
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file
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49 KB
1
14:16, 8 May 2017
Ru01 wcc14gee.PNG
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109 KB
1
14:16, 8 May 2017
Ru02 wcc14gee.PNG
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file
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108 KB
1
14:16, 8 May 2017
Ru03 wcc14gee.PNG
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file
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109 KB
1
14:16, 8 May 2017
Ru04 wcc14gee.PNG
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file
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112 KB
1
14:16, 8 May 2017
Ru05 wcc14gee.PNG
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file
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110 KB
1
17:48, 9 May 2017
F + H2 reaction wcc14gee.PNG
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file
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106 KB
1
17:48, 9 May 2017
H + HF reaction wcc14gee.PNG
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file
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100 KB
1
21:17, 9 May 2017
Transition state wcc14gee.PNG
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92 KB
1
21:22, 9 May 2017
Transition state 2 wcc14gee.PNG
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90 KB
1
21:30, 9 May 2017
F + H2 ts internuclear distance vs time wcc14gee.PNG
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file
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48 KB
1
21:46, 9 May 2017
F + H2 and reverse wcc14gee.png
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file
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24 KB
1
21:59, 9 May 2017
F + H2 and reverse 2 wcc14gee.png
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22 KB
1
22:31, 9 May 2017
F + H2 activation energy.PNG
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file
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46 KB
1
15:16, 10 May 2017
H + HF activation energy wcc14gee.PNG
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45 KB
1
15:21, 10 May 2017
FH2 activation energy wcc14gee.PNG
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46 KB
1
17:50, 10 May 2017
F + H2 mechanism distance vs time wcc14gee.PNG
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61 KB
1
17:50, 10 May 2017
F + H2 mechanism momenta vs time wcc14gee.PNG
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68 KB
1
19:57, 10 May 2017
F + H2 -3 momenta wcc14gee.PNG
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94 KB
1
19:57, 10 May 2017
F + H2 -2.5 momenta wcc14gee.PNG
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file
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92 KB
1
19:57, 10 May 2017
F + H2 -2 momenta wcc14gee.PNG
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90 KB
1
19:57, 10 May 2017
F + H2 -1.5 momenta wcc14gee.PNG
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90 KB
1
19:57, 10 May 2017
F + H2 -1 momenta wcc14gee.PNG
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89 KB
1
19:57, 10 May 2017
F + H2 0 momenta wcc14gee.PNG
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89 KB
1
19:57, 10 May 2017
F + H2 0.5 momenta wcc14gee.PNG
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90 KB
1
19:57, 10 May 2017
F + H2 1 momenta wcc14gee.PNG
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90 KB
1
19:57, 10 May 2017
F + H2 1.5 momenta wcc14gee.PNG
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90 KB
1
19:57, 10 May 2017
F + H2 2 momenta wcc14gee.PNG
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93 KB
1
19:57, 10 May 2017
F + H2 2.5 momenta wcc14gee.PNG
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94 KB
1
19:57, 10 May 2017
F + H2 3 momenta wcc14gee.PNG
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96 KB
1
20:39, 10 May 2017
F + H2 1and-0.8 momenta momentum vs time wcc14gee.PNG
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103 KB
1
20:39, 10 May 2017
F + H2 1and-0.8 momenta surface plot wcc14gee.PNG
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99 KB
1
14:16, 11 May 2017
Decreasing incoming H momentum wcc14gee.PNG
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96 KB
1
14:16, 11 May 2017
HF low vibrational mode wcc14gee.PNG
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98 KB
1
17:10, 11 May 2017
Triatomic system reaction wcc14gee.png
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file
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33 KB
1
16:00, 9 February 2018
Butadiene with ethylene MO wcc14gee.PNG
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file
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75 KB
1
16:00, 9 February 2018
Butadiene with ethylene labelling carbon wcc14gee.PNG
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5 KB
1
16:37, 9 February 2018
Reaction scheme wcc14gee.png
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5 KB
2
17:50, 12 February 2018
Cyclohexadiene and dixole MO wcc14gee.png
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file
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230 KB
1
17:50, 12 February 2018
Cyclohexadiene and dioxole reaction scheme wcc14gee.PNG
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file
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18 KB
1
17:51, 12 February 2018
DA and cheletropic energy diagram wcc14gee.png
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file
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58 KB
1
17:51, 12 February 2018
Xylylene and SO2 reaction scheme wcc14gee.png
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file
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125 KB
1
21:09, 12 February 2018
BUTADIENE (OPTIMISE TO MINIMUM) WCC14GEE.LOG
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file
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151 KB
ex1 butadiene
1
21:10, 12 February 2018
BUTADIENE WITH ETHYLENETS PM6 wcc14gee.LOG
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file
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531 KB
ex1 ts
1
21:12, 12 February 2018
Exercise 1 IRC wcc14gee.gif
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file
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319 KB
EX1 IRC
1
21:12, 12 February 2018
Exercise 1 TS negative frequency.gif
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file
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611 KB
ex1 ts negative frequency
1
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