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Showing below up to 50 results in range #251 to #300.

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  1. (download) NH3 NBO NEW.chk . . 0 × 0 . . 612 KB . . Yf1411 . . 11:50, 31 January 2014
  2. (download) NH3 frequency.chk . . 0 × 0 . . 676 KB . . Ajg110 . . 17:30, 20 February 2013
  3. (download) NH3 opt 6-31G dp energy NBO.chk . . 0 × 0 . . 616 KB . . Wj811 . . 13:15, 22 November 2013
  4. (download) NH3pop.chk . . 0 × 0 . . 616 KB . . Ms408 . . 15:18, 5 December 2012
  5. (download) Nb TlBr3 Optimization.chk . . 0 × 0 . . 524 KB . . Nb108 . . 15:42, 10 February 2012
  6. (download) Ncationmo10.cdx . . 0 × 0 . . 1.72 MB . . Leb09 . . 01:59, 25 January 2013
  7. (download) Ncationmo8.cdx . . 0 × 0 . . 1.59 MB . . Leb09 . . 01:59, 25 January 2013
  8. (download) NewNH36-31GInput.chk . . 0 × 0 . . 680 KB . . Ts3210 . . 22:58, 15 October 2012
  9. (download) NewNH36FreqInput.chk . . 0 × 0 . . 652 KB . . Ts3210 . . 23:02, 15 October 2012
  10. (download) Nh3 mo.chk . . 0 × 0 . . 616 KB . . Ken10 . . 19:48, 17 October 2012
  11. (download) Nh3 mo analysis.chk . . 0 × 0 . . 616 KB . . Ab1810 . . 21:03, 21 November 2012
  12. (download) Nm1909Compound12.cdx . . 0 × 0 . . 2 KB . . Nm1909 . . 17:08, 21 November 2011
  13. (download) Nm1909Reaction scheme ph.cdx . . 0 × 0 . . 6 KB . . Nm1909 . . 15:30, 24 November 2011
  14. (download) OH MOs.chk . . 0 × 0 . . 1.4 MB . . Ac4610 . . 17:01, 23 January 2013
  15. (download) OPTIMISATION 1 5 HEXADIENE ANTI Ci R 631g ALIX.chk . . 0 × 0 . . 1.36 MB . . Aac211 . . 07:13, 23 October 2013
  16. (download) Optimisation 1 5 hexadiene anti ci 5 alix.chk . . 0 × 0 . . 1.21 MB . . Aac211 . . 07:18, 23 October 2013
  17. (download) Optimisation 1 5 hexadiene anti ci 7alix.chk . . 0 × 0 . . 1.21 MB . . Aac211 . . 07:18, 23 October 2013
  18. (download) Optimisation 1 5 hexadiene gauche5 alix.chk . . 0 × 0 . . 1.21 MB . . Aac211 . . 07:16, 23 October 2013
  19. (download) Optimisation 1 5 hexadiene gauche 2 alix.chk . . 0 × 0 . . 1.21 MB . . Aac211 . . 07:16, 23 October 2013
  20. (download) Optimisation after IRC.chk . . 0 × 0 . . 1.25 MB . . Jg1909 . . 14:48, 12 March 2013
  21. (download) Overall Reaction scheme.cdx . . 0 × 0 . . 6 KB . . Kg809 . . 00:58, 1 March 2012
  22. (download) Overall Reaction scheme 2.cdx . . 0 × 0 . . 7 KB . . Kg809 . . 01:11, 1 March 2012
  23. (download) Oxy cope reaction scheme.cdx . . 0 × 0 . . 7 KB . . Kg809 . . 02:18, 1 March 2012
  24. (download) PCH34 MOs.chk . . 0 × 0 . . 1.29 MB . . Ac4610 . . 16:29, 23 January 2013
  25. (download) PCH34 nbo.chk . . 0 × 0 . . 1.29 MB . . Ms408 . . 17:47, 6 December 2012
  26. (download) PG DiENE HE AM1 EN2.chk . . 0 × 0 . . 1.05 MB . . Pg1910 . . 12:44, 6 February 2014
  27. (download) PTFBUT2MO.chk . . 0 × 0 . . 796 KB . . Ptf11 . . 22:41, 12 February 2014
  28. (download) PTFETHYLENEMO.chk . . 0 × 0 . . 652 KB . . Ptf11 . . 10:44, 13 February 2014
  29. (download) PeterCrosbie bh3 freq.chk . . 0 × 0 . . 608 KB . . Pgc09 . . 14:42, 17 January 2013
  30. (download) Pre21.cdx . . 0 × 0 . . 7 KB . . Wc1911 . . 15:14, 18 November 2013
  31. (download) Product 631G OPT ALIX.chk . . 0 × 0 . . 1.7 MB . . Aac211 . . 13:46, 25 October 2013
  32. (download) Product endo 4 ALIX.chk . . 0 × 0 . . 4.21 MB . . Aac211 . . 15:08, 25 October 2013
  33. (download) Product exo 3 ALIX.chk . . 0 × 0 . . 4.21 MB . . Aac211 . . 15:07, 25 October 2013
  34. (download) Ptfcyclodiene.chk . . 0 × 0 . . 1.65 MB . . Ptf11 . . 12:33, 14 February 2014
  35. (download) Ptfendoomats.chk . . 0 × 0 . . 4.67 MB . . Ptf11 . . 12:34, 14 February 2014
  36. (download) Ptfexomats.chk . . 0 × 0 . . 4.38 MB . . Ptf11 . . 12:34, 14 February 2014
  37. (download) Ptfma.chk . . 0 × 0 . . 1.48 MB . . Ptf11 . . 12:33, 14 February 2014
  38. (download) Pulegone epoxideFIshan.cdx . . 0 × 0 . . 3 KB . . Fi311 . . 20:23, 18 October 2013
  39. (download) Pyridine pop analysis.chk . . 0 × 0 . . 1.64 MB . . Wj811 . . 16:32, 19 November 2013
  40. (download) QST3 vibr input.chk . . 0 × 0 . . 1.75 MB . . Ah4011 . . 16:48, 1 November 2013
  41. (download) Qlo15hexadieneANTI2OPT.chk . . 0 × 0 . . 1.21 MB . . Ql811 . . 17:00, 11 March 2014
  42. (download) Qlo15hexadieneANTI2OPTDFT2.chk . . 0 × 0 . . 1.63 MB . . Ql811 . . 17:24, 11 March 2014
  43. (download) Qlo15hexadieneANTIOPT.chk . . 0 × 0 . . 1.21 MB . . Ql811 . . 13:26, 11 March 2014
  44. (download) Qlo15hexadieneGAU1OPT.chk . . 0 × 0 . . 1.21 MB . . Ql811 . . 14:54, 11 March 2014
  45. (download) Qlo15hexadieneGAU2OPT.chk . . 0 × 0 . . 1.21 MB . . Ql811 . . 15:10, 11 March 2014
  46. (download) Qlo15hexadieneGAU4OPT.chk . . 0 × 0 . . 1.21 MB . . Ql811 . . 15:25, 11 March 2014
  47. (download) Qlo15hexadieneGAUOPT.chk . . 0 × 0 . . 1.21 MB . . Ql811 . . 14:02, 11 March 2014
  48. (download) Qlobh3optimisationday3.chk . . 0 × 0 . . 696 KB . . Ql811 . . 16:25, 27 February 2014
  49. (download) QlochairTSstateIRC.chk . . 0 × 0 . . 2.97 MB . . Ql811 . . 13:22, 13 March 2014
  50. (download) QlochairtsguessOPTFREQFROZEN.chk . . 0 × 0 . . 1.42 MB . . Ql811 . . 17:26, 12 March 2014

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