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Showing below up to 50 results in range #3,951 to #4,000.

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  1. (download) B3LYP OPT FREQ UNFROZEN EXO STATE FOR WIKI MO PRINT JJR115 UNFROZEN TRANSITION STATE.LOG . . 0 × 0 . . 3.58 MB . . Jjr115 . . 13:18, 26 February 2018
  2. (download) B3LYP endo prostruc.mol . . 0 × 0 . . 2 KB . . Clc409 . . 14:26, 17 February 2012
  3. (download) B3 CHAIR TS.LOG . . 0 × 0 . . 211 KB . . Etz13 . . 17:30, 22 January 2016
  4. (download) B3 LYP TS 3 ENDO.LOG . . 0 × 0 . . 3.79 MB . . Vl915 . . 11:29, 26 February 2018
  5. (download) B3lyp 631g dp ultrafine syn clinal summary.txt . . 0 × 0 . . 497 bytes . . Gjs09 . . 11:40, 31 October 2011
  6. (download) B3lyp optimised cis butadiene FISHAN.mol . . 0 × 0 . . 1,021 bytes . . Fi311 . . 03:54, 30 November 2013
  7. (download) BA1LYJ.mol . . 0 × 0 . . 3 KB . . Yl9210 . . 21:36, 6 December 2012
  8. (download) BA2LYJ.mol . . 0 × 0 . . 3 KB . . Yl9210 . . 21:36, 6 December 2012
  9. (download) BALAZSSTRIKER H2 OPTIMISATION1 2018.LOG . . 0 × 0 . . 95 KB . . Bs4618 . . 19:37, 11 March 2019
  10. (download) BALAZSSTRIKER N2 OPTIMISATION1 2018.LOG . . 0 × 0 . . 196 KB . . Bs4618 . . 09:26, 14 March 2019
  11. (download) BALAZSSTRIKER NH3 SECOND OPTF POP.LOG . . 0 × 0 . . 228 KB . . Bs4618 . . 11:13, 11 March 2019
  12. (download) BALAZSSTRIKER P4 OPTIMISATION4 2019.LOG . . 0 × 0 . . 796 KB . . Bs4618 . . 09:27, 15 March 2019
  13. (download) BANI H2 OPTF POP.LOG . . 0 × 0 . . 95 KB . . Pk1615 . . 13:55, 8 March 2016
  14. (download) BANI SIH4 OPTF POP.LOG . . 0 × 0 . . 294 KB . . Pk1615 . . 12:24, 9 March 2016
  15. (download) BAPRIU.cif . . 0 × 0 . . 6 KB . . Si211 . . 10:05, 10 July 2013
  16. (download) BARTOF.search2.cif . . 0 × 0 . . 5 KB . . Me1218 . . 10:52, 21 March 2019
  17. (download) BB1916 BH3 FREQ.LOG . . 0 × 0 . . 73 KB . . Bb1916 . . 15:43, 1 May 2018
  18. (download) BB1916 BH3 SYM.LOG . . 0 × 0 . . 21 KB . . Bb1916 . . 15:40, 1 May 2018
  19. (download) BB1916 NH3 FREQ.LOG . . 0 × 0 . . 73 KB . . Bb1916 . . 13:21, 3 May 2018
  20. (download) BB916BBr3optfreq.gjf . . 0 × 0 . . 497 bytes . . Bb916 . . 16:00, 3 May 2018
  21. (download) BB916BBr3optimisedfrequency.log . . 0 × 0 . . 433 KB . . Bb916 . . 16:03, 3 May 2018
  22. (download) BBB.mol . . 0 × 0 . . 837 bytes . . Yh2711 . . 17:09, 19 November 2013
  23. (download) BBH3 OPT.LOG . . 0 × 0 . . 69 KB . . Yc8717 . . 15:54, 7 May 2019
  24. (download) BBORAZINE.LOG . . 0 × 0 . . 87 KB . . Jc808 . . 20:09, 13 March 2011
  25. (download) BBR3.LOG . . 0 × 0 . . 92 KB . . Cw3311 . . 14:30, 24 February 2014
  26. (download) BBR36-31GOut.LOG . . 0 × 0 . . 44 KB . . Ts3210 . . 13:44, 12 October 2012
  27. (download) BBR3JONSBH3 OPT 631G DPsubmitwikioptomisation.txt . . 0 × 0 . . 44 KB . . Js4310 . . 12:17, 11 October 2012
  28. (download) BBR3OPT1.LOG . . 0 × 0 . . 44 KB . . Rr1210 . . 21:24, 14 October 2012
  29. (download) BBR3 6-31G.LOG . . 0 × 0 . . 50 KB . . Mc1210 . . 15:51, 22 January 2013
  30. (download) BBR3 631G AVC.log . . 0 × 0 . . 43 KB . . Avc110 . . 14:45, 8 February 2013
  31. (download) BBR3 631G AVC.mol . . 0 × 0 . . 438 bytes . . Avc110 . . 20:03, 5 February 2013
  32. (download) BBR3 FREQ.LOG . . 0 × 0 . . 37 KB . . Ns3516 . . 15:16, 4 May 2018
  33. (download) BBR3 OPT.LOG . . 0 × 0 . . 57 KB . . Jt2010 . . 14:18, 16 October 2012
  34. (download) BBR3 OPT1B FR3 1DP.LOG . . 0 × 0 . . 44 KB . . Smw110 . . 13:36, 18 October 2012
  35. (download) BBR3 OPT2.LOG . . 0 × 0 . . 50 KB . . Smw110 . . 14:23, 18 October 2012
  36. (download) BBR3 OPT2 WSM.mol . . 0 × 0 . . 446 bytes . . Smw110 . . 15:28, 19 October 2012
  37. (download) BBR3 OPTBB.LOG . . 0 × 0 . . 44 KB . . Ny210 . . 15:20, 12 October 2012
  38. (download) BBR3 OPTBBmol.mol . . 0 × 0 . . 454 bytes . . Ny210 . . 14:59, 11 October 2012
  39. (download) BBR3 OPTIMISATION.LOG . . 0 × 0 . . 50 KB . . Jd1910 . . 19:24, 17 January 2013
  40. (download) BBR3 OPTIMISATION.mol . . 0 × 0 . . 442 bytes . . Nht10 . . 13:56, 9 October 2012
  41. (download) BBR3 OPTIMISATION GENPSEUDO.mol . . 0 × 0 . . 451 bytes . . Wt1110 . . 13:52, 11 October 2012
  42. (download) BBR3 OPTMIXEDD3H.LOG . . 0 × 0 . . 49 KB . . Wt1110 . . 19:15, 13 October 2012
  43. (download) BBR3 OPTMIXEDD3H.mol . . 0 × 0 . . 439 bytes . . Wt1110 . . 19:17, 13 October 2012
  44. (download) BBR3 OPT 0 GEN.LOG . . 0 × 0 . . 50 KB . . Am5310 . . 13:01, 23 November 2012
  45. (download) BBR3 OPT 631G DP.LOG . . 0 × 0 . . 50 KB . . Ab1810 . . 14:42, 19 November 2012
  46. (download) BBR3 OPT 631G DP.gjf . . 0 × 0 . . 431 bytes . . Xt810 . . 20:53, 18 October 2012
  47. (download) BBR3 OPT 631G DP.mol . . 0 × 0 . . 441 bytes . . Xt810 . . 20:54, 18 October 2012
  48. (download) BBR3 OPT 631G DP jar110.LOG . . 0 × 0 . . 43 KB . . Jar110 . . 12:47, 17 October 2012
  49. (download) BBR3 OPT BASIS6-31G.LOG . . 0 × 0 . . 43 KB . . Hr610 . . 15:19, 14 October 2012
  50. (download) BBR3 OPT GEN.LOG . . 0 × 0 . . 51 KB . . Aa9410 . . 16:36, 19 February 2013

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