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Showing below up to 50 results in range #101 to #150.

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  1. (download) CHAIR TS GUESS2A 321G 1a.chk . . 0 × 0 . . 1.36 MB . . Ken10 . . 16:25, 2 November 2012
  2. (download) CHAIR TS GUESS2A 631g.chk . . 0 × 0 . . 1.36 MB . . Ken10 . . 16:19, 2 November 2012
  3. (download) CIS BUTADIENE 631G OPT ALIX.chk . . 0 × 0 . . 1.05 MB . . Aac211 . . 11:18, 25 October 2013
  4. (download) CIS BUTADIENE HF OPT ALIX.chk . . 0 × 0 . . 880 KB . . Aac211 . . 11:17, 25 October 2013
  5. (download) CKL211 BH3 energyNBO.chk . . 0 × 0 . . 616 KB . . Ckl211 . . 13:52, 27 February 2014
  6. (download) CKL211 NH3 energy 631G.chk . . 0 × 0 . . 616 KB . . Ckl211 . . 19:03, 27 February 2014
  7. (download) CN BH3 D3H NBO.chk . . 0 × 0 . . 696 KB . . Cn1311 . . 18:54, 28 February 2014
  8. (download) CN MOs.chk . . 0 × 0 . . 1.51 MB . . Ac4610 . . 16:59, 23 January 2013
  9. (download) ChairTS frozencoordinates.chk . . 0 × 0 . . 1.3 MB . . Fv611 . . 13:38, 17 March 2014
  10. (download) Chair HF Opt Freq alix.chk . . 0 × 0 . . 1.35 MB . . Aac211 . . 09:46, 23 October 2013
  11. (download) Chair HF Opt freeze coord alix.chk . . 0 × 0 . . 1.27 MB . . Aac211 . . 10:25, 23 October 2013
  12. (download) Chair HF Optredundant alix.chk . . 0 × 0 . . 1.3 MB . . Aac211 . . 10:02, 23 October 2013
  13. (download) Chair ICR5 alix.chk . . 0 × 0 . . 2.98 MB . . Aac211 . . 11:41, 23 October 2013
  14. (download) Chair ICR5opt alix.chk . . 0 × 0 . . 1.21 MB . . Aac211 . . 11:40, 23 October 2013
  15. (download) Chair TS 3-21G opt+freq.chk . . 0 × 0 . . 3.01 MB . . Jg1909 . . 19:37, 12 March 2013
  16. (download) Chair TS FrozenCoord pc IRC.chk . . 0 × 0 . . 2.94 MB . . Rg2010 . . 17:51, 8 March 2013
  17. (download) Chair TS opt+freq 6-31G.chk . . 0 × 0 . . 2.07 MB . . Jg1909 . . 16:35, 12 March 2013
  18. (download) Chair guess frozen coordinate optimisation.chk . . 0 × 0 . . 2.93 MB . . Jg1909 . . 19:46, 12 March 2013
  19. (download) Chair guess frozen coordinate optimisation part 2.chk . . 0 × 0 . . 3.28 MB . . Jg1909 . . 19:47, 12 March 2013
  20. (download) Chair transitionstate guess 1 cwj.chk . . 0 × 0 . . 3.01 MB . . Cwj10 . . 16:13, 7 March 2013
  21. (download) Chair ts AGAINAGAIN.chk . . 0 × 0 . . 2.96 MB . . Df910 . . 11:57, 15 March 2013
  22. (download) Chair ts AGAINAGAIN PART2.chk . . 0 × 0 . . 3.14 MB . . Df910 . . 12:05, 15 March 2013
  23. (download) Chair ts b3lyp opt partg.chk . . 0 × 0 . . 1.59 MB . . Rh1909 . . 11:35, 22 March 2012
  24. (download) Chair ts guess1 321g.chk . . 0 × 0 . . 1.97 MB . . Ken10 . . 16:18, 2 November 2012
  25. (download) Chair ts guess 321G FREQ.chk . . 0 × 0 . . 1.3 MB . . Df910 . . 12:15, 15 March 2013
  26. (download) Chair ts guess opt freq - Copy - Copy.chk . . 0 × 0 . . 1.75 MB . . Rh1909 . . 10:42, 22 March 2012
  27. (download) Chair ts guess opt second method.chk . . 0 × 0 . . 1.7 MB . . Rh1909 . . 10:57, 22 March 2012
  28. (download) Chair ts guess opt second method part2.chk . . 0 × 0 . . 1.69 MB . . Rh1909 . . 11:01, 22 March 2012
  29. (download) ChairtsderivCL.chk . . 0 × 0 . . 1.38 MB . . Cjl10 . . 15:14, 27 November 2012
  30. (download) Chemistry hug.cdx . . 0 × 0 . . 4 KB . . Nao09 . . 13:59, 15 November 2011
  31. (download) Chkfileformodiagramttyr2202.chk . . 0 × 0 . . 616 KB . . Yrt11 . . 22:35, 10 October 2013
  32. (download) Cis Buta ALF.chk . . 0 × 0 . . 1.2 MB . . Alf10 . . 15:18, 12 March 2013
  33. (download) Cis butadiene AM1 opt alix.chk . . 0 × 0 . . 1.2 MB . . Aac211 . . 11:16, 25 October 2013
  34. (download) Cisbut ethy TS optim2 unfrozen b3lyp freq.chk . . 0 × 0 . . 1.12 MB . . Sjn09 . . 10:35, 17 December 2011
  35. (download) Cisbut ethy TS optim2 unfrozen freq.chk . . 0 × 0 . . 752 KB . . Sjn09 . . 10:36, 17 December 2011
  36. (download) ClcMOpm6ram209.chk . . 0 × 0 . . 988 KB . . Ram209 . . 12:18, 2 March 2012
  37. (download) Compound1 cr1411.cdx . . 0 × 0 . . 2 KB . . Cr1411 . . 21:40, 25 November 2013
  38. (download) Cope rearrangement SML.cdx . . 0 × 0 . . 3 KB . . Sl4911 . . 17:48, 27 November 2013
  39. (download) Cope rearrangement scheme kandy.cdx . . 0 × 0 . . 2 KB . . Kg809 . . 10:33, 20 March 2012
  40. (download) Cp-dimerisation.cdx . . 0 × 0 . . 8 KB . . Tw2011 . . 15:58, 10 February 2014
  41. (download) Cubebol numbering.cdx . . 0 × 0 . . 4 KB . . Byl109 . . 12:01, 21 October 2011
  42. (download) Cycloadd opt TS.chk . . 0 × 0 . . 1.43 MB . . Ja2010 . . 18:38, 7 February 2013
  43. (download) Cycloaddition a1.chk . . 0 × 0 . . 1.59 MB . . Ken10 . . 16:29, 2 November 2012
  44. (download) Cyclohexadiene opt AM1 betterconformation.chk . . 0 × 0 . . 1.45 MB . . Jg1909 . . 20:20, 14 March 2013
  45. (download) Cyclopentadiene.cdx . . 0 × 0 . . 7 KB . . Kg809 . . 01:27, 1 March 2012
  46. (download) Cyclopentadiene dimerisation mechanism.cdx . . 0 × 0 . . 15 KB . . Nao09 . . 15:29, 17 November 2011
  47. (download) Cyclopentadiene drawings.cdx . . 0 × 0 . . 3 KB . . Mwb11 . . 22:25, 3 February 2014
  48. (download) Cyclopentadiene modified.cdx . . 0 × 0 . . 5 KB . . Kg809 . . 01:29, 1 March 2012
  49. (download) D&A cyclohexadiene ahl10 OPT.chk . . 0 × 0 . . 1.45 MB . . Ahl10 . . 13:14, 7 December 2012
  50. (download) D&A maleic anhydride ahl10 OPT.chk . . 0 × 0 . . 1.25 MB . . Ahl10 . . 13:18, 7 December 2012

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