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12:17, 20 November 2008
Simon cis butadiene dft 6-31g d opt from IRC curves.jpg
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file
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175 KB
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12:14, 20 November 2008
Simon cis butadiene dft 6-31g d opt from IRC.xml
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2 KB
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12:09, 20 November 2008
Simon cis butadiene ethene am1 IRC backwards curves.jpg
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216 KB
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11:44, 20 November 2008
Simon cyclohex anhydride modredundant derivative endo dft noeigen opt from IRC backwards.xml
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3 KB
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11:43, 20 November 2008
Simon cyclohex anhydride exo qst2 dft opt from IRC.xml
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file
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3 KB
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11:36, 20 November 2008
Simon cyclohex anhydride modredundant derivative longer bond endo am1 noeigen IRC backwards curves.jpg
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210 KB
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11:36, 20 November 2008
Simon cyclohex anhydride exo qst2 am1 IRC curves.jpg
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204 KB
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19:53, 19 November 2008
Simon cyclohex anhydride modredundant derivative longer bond endo dft 6-31g d noeigen opt ts vibration.jpg
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71 KB
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19:53, 19 November 2008
Simon cyclohex anhydride exo qst2 dft 6-31g(d) opt freq ts vibration.jpg
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83 KB
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19:49, 19 November 2008
Simon cyclohex anhydride modredundant derivative longer bond endo dft 6-31g d noeigen opt ts HOMO.jpg
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104 KB
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19:49, 19 November 2008
Simon cyclohex anhydride modredundant derivative longer bond endo dft 6-31g d noeigen opt ts LUMO.jpg
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file
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104 KB
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19:49, 19 November 2008
Simon cyclohex anhydride exo qst2 dft 6-31g(d) opt freq ts HOMO.jpg
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file
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80 KB
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19:48, 19 November 2008
Simon cyclohex anhydride exo qst2 dft 6-31g(d) opt freq ts LUMO.jpg
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file
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97 KB
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19:48, 19 November 2008
Simon cyclohex anhydride modredundant derivative longer bond endo dft 6-31g d noeigen opt ts summary.jpg
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file
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48 KB
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19:46, 19 November 2008
Simon cyclohex anhydride exo qst2 dft 6-31g(d) opt freq ts summary.jpg
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file
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58 KB
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19:45, 19 November 2008
Simon cyclohex anhydride modredundant derivative longer bond endo dft 6-31g d noeigen opt ts.xml
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file
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3 KB
1
19:45, 19 November 2008
Simon cyclohex anhydride exo qst2 dft 6-31g(d) opt freq ts.xml
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file
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3 KB
1
18:10, 19 November 2008
Simon ethene dft 6-31g d opt LUMO.jpg
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file
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121 KB
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18:07, 19 November 2008
Simon cis butadiene dft 6-31g d opt HOMO.jpg
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file
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118 KB
1
18:07, 19 November 2008
Simon cis butadiene dft 6-31g d opt LUMO.jpg
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file
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140 KB
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18:06, 19 November 2008
Simon cis butadiene dft 6-31g d opt.xml
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file
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1 KB
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16:49, 19 November 2008
Simon cis butadiene ethene dft 6-31g d opt freq ts vibration.jpg
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file
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72 KB
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16:48, 19 November 2008
Simon cis butadiene ethene am1 opt freq ts vibration.jpg
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82 KB
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16:41, 19 November 2008
Simon cis butadiene ethene dft 6-31g d opt freq ts HOMO-1.jpg
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167 KB
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16:41, 19 November 2008
Simon cis butadiene ethene dft 6-31g d opt freq ts HOMO.jpg
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file
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197 KB
1
16:41, 19 November 2008
Simon cis butadiene ethene dft 6-31g d opt freq ts LUMO.jpg
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file
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229 KB
1
16:40, 19 November 2008
Simon cis butadiene ethene am1 opt freq ts HOMO-1.jpg
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file
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93 KB
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16:39, 19 November 2008
Simon cis butadiene ethene am1 opt freq ts HOMO.jpg
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file
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178 KB
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16:39, 19 November 2008
Simon cis butadiene ethene am1 opt freq ts LUMO.jpg
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file
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165 KB
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16:38, 19 November 2008
Simon cis butadiene ethene dft 6-31g d opt freq ts summary.jpg
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file
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59 KB
1
16:38, 19 November 2008
Simon cis butadiene ethene am1 opt freq ts summary.jpg
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file
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55 KB
1
16:34, 19 November 2008
Simon cis butadiene ethene dft 6-31g d opt freq ts.xml
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2 KB
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16:32, 19 November 2008
SIMON CIS BUTADIENE ETHENE AM1 OPT FREQ TS.mol
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file
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2 KB
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16:26, 19 November 2008
Simon cis butadiene am1 opt HOMO.jpg
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file
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116 KB
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16:26, 19 November 2008
Simon cis butadiene am1 opt LUMO.jpg
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file
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115 KB
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16:24, 19 November 2008
SIMON CIS BUTADIENE AM1 OPT.mol
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file
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1,018 bytes
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14:27, 19 November 2008
Simon boat ts altered structure hf 3-21g IRC summary.jpg
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file
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39 KB
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14:27, 19 November 2008
Simon boat ts altered structure hf 3-21g IRC curves.jpg
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file
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221 KB
1
14:26, 19 November 2008
Simon boat ts altered structure dft 6-31g d opt after IRC summary.jpg
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file
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51 KB
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13:51, 19 November 2008
Simon boat ts altered structure hf 3-21g qst2 opt summary.jpg
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file
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48 KB
1
13:51, 19 November 2008
Simon boat ts altered structure hf 3-21g qst2 opt vibration.jpg
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file
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108 KB
1
13:51, 19 November 2008
Simon boat ts altered structure dft 6-31g d qst2 opt vibration.jpg
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file
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85 KB
1
13:49, 19 November 2008
Simon boat ts altered structure dft 6-31g d qst2 opt summary.jpg
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file
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53 KB
1
13:45, 19 November 2008
Simon boat ts hf 3-21g qst2 opt.jpg
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file
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38 KB
1
13:42, 19 November 2008
Simon boat ts altered structure hf 3-21g qst2 opt.xml
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file
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2 KB
1
13:41, 19 November 2008
Simon boat ts altered structure dft 6-31g d qst2 opt.xml
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file
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2 KB
1
19:41, 18 November 2008
Simon chair ts guess modredundant derivative hf 3-21g noeigentest opt from IRC.jpg
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file
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56 KB
1
19:39, 18 November 2008
Simon chair ts guess modredundant derivative hf 3-21g noeigentest IRC summary.jpg
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file
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40 KB
1
19:39, 18 November 2008
Simon chair ts guess modredundant derivative hf 3-21g noeigentest IRC curves.jpg
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file
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227 KB
1
19:37, 18 November 2008
Simon chair ts guess modredundant derivative hf 3-21g noeigentest IRC 100 points curves.jpg
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file
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224 KB
1
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_opt_freq_ts_vibration.jpg)
_opt_freq_ts_HOMO.jpg)
_opt_freq_ts_LUMO.jpg)
_opt_freq_ts_summary.jpg)
