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Showing below up to 50 results in range #4,101 to #4,150.

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  1. (download) BC1015 N2OPTIMISATION.LOG . . 0 × 0 . . 196 KB . . Bc1015 . . 16:24, 29 February 2016
  2. (download) BC5H6 321G AVC.log . . 0 × 0 . . 87 KB . . Avc110 . . 14:53, 8 February 2013
  3. (download) BC5H6 321G AVC.mol . . 0 × 0 . . 1 KB . . Avc110 . . 09:47, 8 February 2013
  4. (download) BC5H6 631G AVC.log . . 0 × 0 . . 54 KB . . Avc110 . . 14:54, 8 February 2013
  5. (download) BC5H6 631G AVC.mol . . 0 × 0 . . 1 KB . . Avc110 . . 09:53, 8 February 2013
  6. (download) BC5H6 FREQ AVC.log . . 0 × 0 . . 53 KB . . Avc110 . . 14:56, 8 February 2013
  7. (download) BC5H6 FREQ AVC.mol . . 0 × 0 . . 1 KB . . Avc110 . . 10:01, 8 February 2013
  8. (download) BC5H6 POP AVC.log . . 0 × 0 . . 519 KB . . Avc110 . . 14:34, 8 February 2013
  9. (download) BC6008 7 MOPAC.mol . . 0 × 0 . . 4 KB . . Bc608 . . 18:50, 22 February 2011
  10. (download) BC608 7.mol . . 0 × 0 . . 4 KB . . Bc608 . . 18:28, 22 February 2011
  11. (download) BC608 7 COFORWARD.mol . . 0 × 0 . . 4 KB . . Bc608 . . 11:31, 3 March 2011
  12. (download) BC608 7 MMFF92.mol . . 0 × 0 . . 4 KB . . Bc608 . . 18:41, 22 February 2011
  13. (download) BC608 7 NegativeCarbonylAngle.mol . . 0 × 0 . . 4 KB . . Bc608 . . 16:14, 24 February 2011
  14. (download) BC608 7 NegativeCarbonylAngle MMFF92.mol . . 0 × 0 . . 4 KB . . Bc608 . . 16:12, 24 February 2011
  15. (download) BC608 7 NegativeCarbonylAngle MOPAC.mol . . 0 × 0 . . 4 KB . . Bc608 . . 16:11, 24 February 2011
  16. (download) BC608 BR2 TRIPLET GEO OPT.LOG . . 0 × 0 . . 50 KB . . Bc608 . . 17:41, 13 March 2011
  17. (download) BC608 IRC attempt1 50steps forceconstantsalways.mol . . 0 × 0 . . 2 KB . . Bc608 . . 17:41, 20 March 2011
  18. (download) BC608 Module1 cyclopent Structure1.mol . . 0 × 0 . . 2 KB . . Bc608 . . 16:06, 21 February 2011
  19. (download) BC608 Module1 cyclopent structure2.mol . . 0 × 0 . . 2 KB . . Bc608 . . 14:21, 22 February 2011
  20. (download) BC608 Module1 cyclopent structure3.mol . . 0 × 0 . . 2 KB . . Bc608 . . 14:47, 22 February 2011
  21. (download) BC608 Module1 cyclopent structure4.mol . . 0 × 0 . . 2 KB . . Bc608 . . 14:55, 22 February 2011
  22. (download) BC608 Module1 pyridinium5-down-MMFF92.mol . . 0 × 0 . . 3 KB . . Bc608 . . 17:09, 22 February 2011
  23. (download) BC608 Module1 pyridinium5-down-MOPAC.mol . . 0 × 0 . . 3 KB . . Bc608 . . 16:01, 24 February 2011
  24. (download) BC608 Module1 pyridinium5-down2.mol . . 0 × 0 . . 3 KB . . Bc608 . . 16:44, 22 February 2011
  25. (download) BC608 Module1 pyridinium5-up.mol . . 0 × 0 . . 3 KB . . Bc608 . . 16:42, 22 February 2011
  26. (download) BC608 Module1 pyridinium5.mol . . 0 × 0 . . 3 KB . . Bc608 . . 16:08, 22 February 2011
  27. (download) BC608 NH2 GEOOPT SINGLET.LOG . . 0 × 0 . . 94 KB . . Bc608 . . 17:15, 13 March 2011
  28. (download) BC608 TLBR3 FREQ.LOG . . 0 × 0 . . 28 KB . . Bc608 . . 20:16, 9 March 2011
  29. (download) BCHEN H2SIO OPTF POP.LOG . . 0 × 0 . . 79 KB . . Bc2116 . . 18:34, 2 March 2017
  30. (download) BCHEN H2 OPTF POP.LOG . . 0 × 0 . . 95 KB . . Bc2116 . . 18:32, 2 March 2017
  31. (download) BCHEN N2 OPTF POP.LOG . . 0 × 0 . . 54 KB . . Bc2116 . . 18:34, 2 March 2017
  32. (download) BCHEN NH3 OPTF POP.LOG . . 0 × 0 . . 228 KB . . Bc2116 . . 18:31, 2 March 2017
  33. (download) BCHL BH3 631GDP OPT.LOG . . 0 × 0 . . 31 KB . . Bl2011 . . 16:30, 25 February 2014
  34. (download) BCHL BH3 FREQ.LOG . . 0 × 0 . . 26 KB . . Bl2011 . . 17:37, 27 February 2014
  35. (download) BCHL BH3 SYMBROKEN.log.LOG . . 0 × 0 . . 20 KB . . Bl2011 . . 16:06, 25 February 2014
  36. (download) BCL3 FINAL OPTIMISATION.LOG . . 0 × 0 . . 64 KB . . Bw08 . . 16:36, 9 March 2011
  37. (download) BCL3 FINAL OPTIMISATION FREQ.LOG . . 0 × 0 . . 39 KB . . Bw08 . . 16:43, 9 March 2011
  38. (download) BCL3 FREQ.txt . . 0 × 0 . . 52 KB . . Ggr07 . . 14:51, 3 December 2009
  39. (download) BCL3 frequency output.txt . . 0 × 0 . . 52 KB . . Map107 . . 17:01, 2 December 2009
  40. (download) BCL4-FREQ.LOG . . 0 × 0 . . 190 KB . . Bw08 . . 18:47, 11 March 2011
  41. (download) BCL4- NBO.LOG . . 0 × 0 . . 170 KB . . Bw08 . . 17:16, 14 March 2011
  42. (download) BCL4- NBO.gjf . . 0 × 0 . . 487 bytes . . Bw08 . . 17:15, 14 March 2011
  43. (download) BCL4- OPT.LOG . . 0 × 0 . . 42 KB . . Bw08 . . 18:26, 11 March 2011
  44. (download) BC DA TS F TS ZG.mol . . 0 × 0 . . 2 KB . . Zg1413 . . 15:00, 9 February 2016
  45. (download) BC F TS ZG.mol . . 0 × 0 . . 2 KB . . Zg1413 . . 14:53, 9 February 2016
  46. (download) BChargedistribution.mol2 . . 0 × 0 . . 927 bytes . . Jg1009 . . 10:08, 13 March 2012
  47. (download) BCl3NCl3 OPTjmol.mol . . 0 × 0 . . 820 bytes . . Hlc07 . . 22:29, 14 March 2011
  48. (download) BCl3NH3 OPTjmol.mol . . 0 × 0 . . 774 bytes . . Hlc07 . . 22:31, 14 March 2011
  49. (download) BCl3 final optimisation.gjf . . 0 × 0 . . 413 bytes . . Bw08 . . 14:59, 13 March 2011
  50. (download) BCl3 final optimisation freq.gjf . . 0 × 0 . . 432 bytes . . Bw08 . . 15:01, 13 March 2011

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