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Showing below up to 50 results in range #51 to #100.

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  1. (download) Exercise3 path eb1613.cdx . . 0 × 0 . . 8 KB . . Eb1613 . . 21:52, 1 December 2016
  2. (download) Exercise 1 - reaction scheme.cdx . . 0 × 0 . . 2 KB . . Na2615 . . 17:17, 14 December 2017
  3. (download) Exercise 1 MO.cdx . . 0 × 0 . . 15 KB . . Jb2813 . . 00:06, 11 June 2017
  4. (download) Exercise 2 reaction mechanism.cdx . . 0 × 0 . . 6 KB . . Sw4913 . . 14:53, 9 February 2017
  5. (download) Exo TS MO Diagram.cdx . . 0 × 0 . . 16 KB . . Smw415 . . 21:19, 11 March 2018
  6. (download) Exo TS b3lypd.chk . . 0 × 0 . . 4.58 MB . . Xm1213 . . 16:41, 15 November 2016
  7. (download) Exo TS b3lypd.log . . 0 × 0 . . 4.58 MB . . Xm1213 . . 15:46, 16 November 2016
  8. (download) Exo TS freq 631Gd.chk . . 0 × 0 . . 2.78 MB . . Spk15 . . 11:25, 25 January 2018
  9. (download) Exoche1.cdx . . 0 × 0 . . 3 KB . . Yl20414 . . 15:06, 20 October 2016
  10. (download) Exp1efr114.chk . . 0 × 0 . . 1.55 MB . . Efr114 . . 14:14, 3 November 2016
  11. (download) FG IONICLIQUIDMOS.cdx . . 0 × 0 . . 401 KB . . Feg17 . . 15:42, 10 May 2019
  12. (download) FW NH3 opt pop 2.chk . . 0 × 0 . . 696 KB . . Fiw17 . . 10:34, 5 March 2018
  13. (download) Fht14exoirc.log . . 0 × 0 . . 4.86 MB . . Fht14 . . 23:43, 13 February 2018
  14. (download) Final MO of exp1.cdx . . 0 × 0 . . 14 KB . . Xy3513 . . 21:52, 25 January 2018
  15. (download) Fp1615 ex2 finalfinal ircpm6 reverseorder 3.log . . 0 × 0 . . 4.86 MB . . Fp1615 . . 17:52, 24 February 2018
  16. (download) Gauche 6 t.chk . . 0 × 0 . . 1.21 MB . . Yw10612 . . 02:51, 26 February 2016
  17. (download) Gcw114Butadine opt.chk . . 0 × 0 . . 1.2 MB . . Gcw114 . . 15:36, 24 January 2017
  18. (download) Gcw114 Ts2 opt2.chk . . 0 × 0 . . 1.8 MB . . Gcw114 . . 15:23, 24 January 2017
  19. (download) Gj2118nh3.log . . 0 × 0 . . 716 KB . . Gj2118 . . 16:04, 27 March 2019
  20. (download) Gm1616 clf3 op pop.chk . . 0 × 0 . . 912 KB . . Gm1616 . . 09:16, 9 March 2017
  21. (download) H2O optimisation.chk . . 0 × 0 . . 656 KB . . Ja1915 . . 17:05, 25 February 2016
  22. (download) H2 hyy.chk . . 0 × 0 . . 608 KB . . Yh13018 . . 12:43, 21 February 2019
  23. (download) H2 search conquest.cqs . . 0 × 0 . . 88 KB . . Mb7418 . . 11:27, 21 March 2019
  24. (download) HCL̠OPT̠JH3416.LOG . . 0 × 0 . . 648 KB . . Jh3416 . . 14:51, 2 March 2018
  25. (download) HOMO-LUMO diagram complabs.cdx . . 0 × 0 . . 7 KB . . Mp4114 . . 14:59, 20 October 2016
  26. (download) Haozhezhang nh3 optf pop.chk . . 0 × 0 . . 696 KB . . Hz7718 . . 12:27, 20 February 2019
  27. (download) Hb2515 nh3 optf pop.chk . . 0 × 0 . . 696 KB . . Hb2515 . . 18:04, 17 February 2016
  28. (download) Hyl314 Ex 1 MO1.cdx . . 0 × 0 . . 11 KB . . Hyl314 . . 20:41, 14 December 2016
  29. (download) ISO1 AL2BR2CL4 FREQ1.chk . . 0 × 0 . . 1.5 MB . . Dav16 . . 15:15, 13 May 2018
  30. (download) Ia2514 ex1 reactants energy.chk . . 0 × 0 . . 1.1 MB . . Ia2514 . . 12:32, 25 January 2017
  31. (download) Isomer.cdx . . 0 × 0 . . 9 KB . . Lh1316 . . 15:18, 4 May 2018
  32. (download) JAP N2 optimised.chk . . 0 × 0 . . 672 KB . . Jap18 . . 10:09, 7 March 2019
  33. (download) JB713D.LOG . . 0 × 0 . . 250 KB . . Jb713 . . 21:56, 17 December 2015
  34. (download) JBecker h2 singlepoint.chk . . 0 × 0 . . 616 KB . . Jb6518 . . 09:24, 8 February 2019
  35. (download) Ja1915-Reaction Profile.cdx . . 0 × 0 . . 10 KB . . Ja1915 . . 13:40, 7 November 2017
  36. (download) James Albon H2O optimisation.log . . 0 × 0 . . 656 KB . . Ja1915 . . 13:50, 26 February 2016
  37. (download) Jaume cos wonderful image3.cdx . . 0 × 0 . . 184 KB . . Jc8717 . . 16:07, 3 May 2019
  38. (download) Jh6415 Exercise 3 Energy Level Diagram.cdx . . 0 × 0 . . 5 KB . . Jh6415 . . 15:01, 10 February 2018
  39. (download) Jh6415 Intro Transition State Diagram.cdx . . 0 × 0 . . 62 KB . . Jh6415 . . 10:24, 11 February 2018
  40. (download) KH1015 1-4-Butadiene S-cis.chk . . 0 × 0 . . 1.2 MB . . Kh1015 . . 21:55, 11 March 2018
  41. (download) KH1015 Cyclohexadiene B3LYP-6-31G(d).chk . . 0 × 0 . . 1.66 MB . . Kh1015 . . 21:58, 11 March 2018
  42. (download) KH1015 Cyclohexene Fragment TS.chk . . 0 × 0 . . 1.68 MB . . Kh1015 . . 15:11, 12 March 2018
  43. (download) KH1015 Dioxane B3LYP-6-31G(d).chk . . 0 × 0 . . 1.21 MB . . Kh1015 . . 21:59, 11 March 2018
  44. (download) KH1015 Endo B3YLP-6-31 G(d) Fragment TS.chk . . 0 × 0 . . 3.84 MB . . Kh1015 . . 16:08, 12 March 2018
  45. (download) KH1015 Ethene.chk . . 0 × 0 . . 1.1 MB . . Kh1015 . . 21:56, 11 March 2018
  46. (download) KH1015 Exo B3YLP-6-31 G(d) Fragment TS.chk . . 0 × 0 . . 3.82 MB . . Kh1015 . . 16:40, 12 March 2018
  47. (download) KH1015 Reactant 1.chk . . 0 × 0 . . 1.44 MB . . Kh1015 . . 22:02, 11 March 2018
  48. (download) KH1015 Sulfur Dioxide.chk . . 0 × 0 . . 1.06 MB . . Kh1015 . . 22:02, 11 March 2018
  49. (download) Ksg115 exo internal ex3 pm6 opt tstate.chk . . 0 × 0 . . 1.61 MB . . Ksg115 . . 23:01, 19 December 2017
  50. (download) LJ4717 nh3 optf pop.chk . . 0 × 0 . . 716 KB . . Lj4717 . . 17:39, 22 March 2018

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