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20:29, 15 May 2020
Internuclear distances vs Time plot of r1=r2=90.775 pm and p1=p2=0.png
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13 KB
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12:59, 15 May 2020
Reactive trajectory of an exothermic reaction.png
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190 KB
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12:49, 15 May 2020
Exothermic Reaction Polyani's empirical Rules successful Reaction.png
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179 KB
1
12:48, 15 May 2020
Exothermic Reaction Polyani's empirical Rules unsuccessful Reaction.png
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176 KB
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07:40, 15 May 2020
Momenta vs Time plot of H2 going to HF reactive trajectory with initial HH=75 HF=190, pHH=-5 and pHF=-1.png
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44 KB
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07:40, 15 May 2020
Contour plot of H2 going to HF reactive trajectory with initial HH=75 HF=190, pHH=-5 and pHF=-1.png
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177 KB
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07:01, 15 May 2020
Energy vs time plot for exothermic reaction.png
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26 KB
1
06:53, 15 May 2020
Plot5 Energy forms (170, 75, 0, 0, -544.341, -434.112).png
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21 KB
1
06:50, 15 May 2020
Plot5 Energy HF forms (170, 75, 0, 0, -544.341, -434.112).png
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19 KB
1
05:31, 15 May 2020
New Internuclear distances vs Time plot H-H-F system.png
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14 KB
1
05:30, 15 May 2020
TS PES plot.png
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109 KB
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12:40, 14 May 2020
Internuclear distances vs Time plot H-H-F system.png
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18 KB
1
12:39, 14 May 2020
Contour Plot of TS of F-H-H system.png
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190 KB
1
12:20, 14 May 2020
Contour Plot exercise 2 PES PART.png
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168 KB
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11:59, 14 May 2020
Surface Plot exercise 2 PES PART.png
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97 KB
Surface plot with A= F, B=H, C=H
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11:53, 14 May 2020
AM12618 5.png
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161 KB
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11:52, 14 May 2020
AM12618 4.png
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162 KB
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11:52, 14 May 2020
AM12618 3.png
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159 KB
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11:51, 14 May 2020
AM12618 2.png
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160 KB
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11:43, 14 May 2020
AM01564233 1.png
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159 KB
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21:04, 13 May 2020
Saddle point min and max.png
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132 KB
1
16:00, 13 May 2020
AM Dynamics Calculation with r1 = rts+1 pm, r2 = rts and p1 = p2 = 0.png
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27 KB
1
15:58, 13 May 2020
AM. MEP calculation with r1 = rts+1 pm, r2 = rts and p1 = p2 = 0.png
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26 KB
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15:30, 13 May 2020
Contour Plot of the best estimate of the transition state position(r1=r2=90.775 pm).png
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157 KB
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16:17, 15 March 2019
HOMO LUMO AM.PNG
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144 KB
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15:34, 15 March 2019
Molecule labels.PNG
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22 KB
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10:46, 15 March 2019
2AM MO 15.PNG
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59 KB
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10:46, 15 March 2019
2AM MO 13.PNG
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71 KB
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10:46, 15 March 2019
2AM MO 10.PNG
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67 KB
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10:45, 15 March 2019
2AM MO 9.PNG
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58 KB
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10:14, 15 March 2019
AM MO 15.PNG
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73 KB
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10:00, 15 March 2019
AM MO 13.PNG
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84 KB
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09:55, 15 March 2019
AM MO 10.PNG
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64 KB
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09:50, 15 March 2019
AM MO 9.PNG
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74 KB
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09:48, 15 March 2019
AM MO 1.PNG
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34 KB
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08:52, 15 March 2019
AM2 Display Vibrations ClF3.PNG
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15 KB
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08:51, 15 March 2019
AM2 Display Vibrations H2.PNG
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13 KB
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08:51, 15 March 2019
AM2 Display Vibrations N2.PNG
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13 KB
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08:50, 15 March 2019
AM2 Display Vibrations NH3.PNG
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15 KB
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08:46, 15 March 2019
Charge distribution1.PNG
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15 KB
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08:45, 15 March 2019
2charge distribution H2.PNG
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8 KB
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08:41, 15 March 2019
2Charge distribution on N2 molecule am.PNG
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27 KB
Charge on nitrogen molecule
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08:39, 15 March 2019
2Charge distribution on NH3 molecule am12618.PNG
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24 KB
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17:19, 14 March 2019
AM Display Vibrations ClF3.PNG
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18 KB
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17:17, 14 March 2019
AM Display Vibrations H2.PNG
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16 KB
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17:17, 14 March 2019
AM Display vibrations N2.PNG
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13 KB
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17:15, 14 March 2019
AM Display Vibrations NH3.PNG
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15 KB
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16:35, 14 March 2019
ATHINAMASOURA2 AM12618 PHUNT CLF3 OPTF POP.LOG
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602 KB
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16:03, 14 March 2019
Transition Metal complex YECMOL withbonddistance.PNG
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5 KB
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15:41, 14 March 2019
AthinaMasoura am12618 PHunt h2 optf pop.LOG
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95 KB
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