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This special page shows all uploaded files.
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Name
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Size
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17:26, 15 December 2009
Mr607 exo opt freq.jpg
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file
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144 KB
1
17:25, 15 December 2009
Mr607 endo opt freq.jpg
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file
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174 KB
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15:36, 15 December 2009
Mr607 endo optimised.mol
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file
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2 KB
1
15:30, 15 December 2009
Mr607 DA exo TS opt.mol
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file
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2 KB
1
15:29, 15 December 2009
Mr607 endo transition state optimisation LUMO from side.jpg
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file
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183 KB
1
15:29, 15 December 2009
Mr607 endo transition state LUMO.jpg
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file
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221 KB
1
15:28, 15 December 2009
Mr607 endo transition state HOMO from side.jpg
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file
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218 KB
1
15:28, 15 December 2009
Mr607 endo transition state HOMO from abaove HOMO.jpg
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file
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268 KB
1
15:27, 15 December 2009
Mr607 endo transition state.jpg
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file
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141 KB
1
15:22, 15 December 2009
Mr607 exo transition state optimisation LUMO from side.jpg
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file
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207 KB
1
15:15, 15 December 2009
Mr607 exo transition state LUMO.jpg
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file
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224 KB
1
15:14, 15 December 2009
Mr607 exo transition state HOMO from side.jpg
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file
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224 KB
1
15:14, 15 December 2009
Mr607 exo transition state HOMO from abaove HOMO.jpg
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file
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227 KB
1
15:13, 15 December 2009
Mr607 exo transition state.jpg
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file
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110 KB
1
23:07, 14 December 2009
Mr607 maleic diels alder reaction scheme.jpg
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file
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22 KB
1
22:49, 14 December 2009
Mr607 transition state opt freq.jpg
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file
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250 KB
2
22:41, 14 December 2009
Mr607 transition state orbitals.jpg
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file
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46 KB
1
21:18, 14 December 2009
Mr607 optimised transition state.mol
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file
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2 KB
1
21:12, 14 December 2009
Mr607 transition state optimisation LUMO.jpg
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file
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154 KB
1
21:12, 14 December 2009
Mr607 transition state optimisation HOMO.jpg
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file
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158 KB
1
21:11, 14 December 2009
Mr607 transition state optimisation.jpg
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file
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167 KB
1
11:46, 14 December 2009
Mr607 butadiene LUMO.jpg
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file
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191 KB
1
11:45, 14 December 2009
Mr607 butadiene HOMO.jpg
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file
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197 KB
1
11:43, 14 December 2009
Mr607 butadiene AM1 optimised.jpg
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file
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93 KB
1
11:36, 14 December 2009
Mr607 butadiene initally optimised.jpg
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file
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101 KB
1
11:10, 14 December 2009
Mr607 DA Reaction Scheme 4.jpg
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file
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19 KB
1
11:08, 14 December 2009
Mr607 DA Reaction Scheme 3.jpg
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file
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9 KB
1
11:08, 14 December 2009
Mr607 DA Reaction Scheme 2.jpg
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file
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9 KB
2
10:45, 14 December 2009
Mr607 butadiene MO diagram.jpg
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file
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90 KB
1
10:45, 14 December 2009
Mr607 ethylene MO diagram .jpg
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file
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43 KB
2
22:35, 13 December 2009
Mr607 DA Reaction Scheme.jpg
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file
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15 KB
2
17:44, 13 December 2009
Mr607 cope boat IRC2.jpg
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file
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108 KB
1
17:43, 13 December 2009
Mr607 cope boat IRC run 2.jpg
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file
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188 KB
1
17:20, 13 December 2009
Mr607 boat QST2 opt 2 jmol.mol
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file
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2 KB
1
16:57, 13 December 2009
Mr607 cope boat IRC run 1.jpg
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file
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206 KB
1
15:33, 13 December 2009
Mr607 cope boat ts .jpg
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file
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143 KB
1
15:32, 13 December 2009
Mr607 cope boat ts opt TSQT2 imag freq.jpg
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file
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147 KB
1
15:25, 13 December 2009
Mr607 cope boat ts opt TSQT2 failed.jpg
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file
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108 KB
1
15:08, 13 December 2009
Mr607 cope boat product numbering.jpg
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file
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186 KB
1
15:07, 13 December 2009
Mr607 cope boat reactant numbering.jpg
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file
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192 KB
1
18:02, 12 December 2009
Mr607 cope rearrangement chair force constant optresults.mol
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file
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2 KB
1
17:51, 12 December 2009
Mr607 cope chair redundant method finished.mol
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file
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2 KB
1
17:50, 12 December 2009
Mr607 cope rearrangment redundant imaginary.jpg
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file
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113 KB
1
17:49, 12 December 2009
Mr607 cope rearrangment chair force constant imaginary.jpg
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file
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110 KB
1
17:49, 12 December 2009
Mr607 cope rearrangment chair redundant coordinate method.jpg
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file
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105 KB
1
17:48, 12 December 2009
Mr607 cope rearrangment chair force constant method.jpg
(
file
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93 KB
1
16:44, 12 December 2009
Mr607 cope rearrangment basic fragment.jpg
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file
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93 KB
1
13:59, 12 December 2009
Mr607 cope rearrangment initial CH2CHCH2 fragment optimisation.jpg
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file
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82 KB
1
15:32, 11 December 2009
Mr607 cope rearrangement 1,5-hexadiene mode42.jpg
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file
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99 KB
1
15:31, 11 December 2009
Mr607 cope rearrangement 1,5-hexadiene mode39.jpg
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file
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97 KB
1
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