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Showing below up to 50 results in range #4,051 to #4,100.

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  1. (download) BBr3 Opt usingPseudoPotentials ya output.log . . 0 × 0 . . 49 KB . . Ya2012 . . 18:07, 9 December 2014
  2. (download) BBr3 Opt usingPseudoPotentials ya output.mol . . 0 × 0 . . 437 bytes . . Ya2012 . . 18:06, 9 December 2014
  3. (download) BBr3 Optimisation.log . . 0 × 0 . . 49 KB . . Ajg110 . . 20:10, 27 February 2013
  4. (download) BBr3 Optimisation ahl10.log . . 0 × 0 . . 49 KB . . Ahl10 . . 15:53, 13 November 2012
  5. (download) BBr3 Optimised log file.txt . . 0 × 0 . . 49 KB . . Tf910 . . 12:33, 20 February 2013
  6. (download) BBr3 RSG.mol . . 0 × 0 . . 442 bytes . . Rg2010 . . 13:38, 21 February 2013
  7. (download) BBr3 convergeddata.txt . . 0 × 0 . . 2 KB . . Kk2311 . . 15:40, 13 November 2013
  8. (download) BBr3 done optfreq.log . . 0 × 0 . . 75 KB . . Mfc16 . . 13:29, 3 May 2018
  9. (download) BBr3 freq.log . . 0 × 0 . . 111 KB . . Ch1516 . . 15:50, 15 May 2018
  10. (download) BBr3 freq analysis pseudo potentials final.log . . 0 × 0 . . 112 KB . . Ak8916 . . 12:36, 24 May 2018
  11. (download) BBr3 freq jhm gen.log . . 0 × 0 . . 113 KB . . Jhm116 . . 13:46, 3 May 2018
  12. (download) BBr3 log 69149.log . . 0 × 0 . . 49 KB . . Ob810 . . 16:49, 15 January 2013
  13. (download) BBr3 logfileafterSCAN.log . . 0 × 0 . . 50 KB . . Dl2310 . . 16:53, 16 November 2012
  14. (download) BBr3 mixed pp basis set.gjf . . 0 × 0 . . 555 bytes . . Lmf12 . . 10:57, 15 October 2014
  15. (download) BBr3 molfileafterSCAN.mol . . 0 × 0 . . 444 bytes . . Dl2310 . . 16:49, 16 November 2012
  16. (download) BBr3 opt.log . . 0 × 0 . . 49 KB . . Yz8711 . . 21:05, 14 November 2013
  17. (download) BBr3 opt.mol . . 0 × 0 . . 440 bytes . . Nf1312 . . 11:21, 20 October 2014
  18. (download) BBr3 optHPC.log . . 0 × 0 . . 49 KB . . Ac4610 . . 15:47, 15 January 2013
  19. (download) BBr3 opt (5).log . . 0 × 0 . . 50 KB . . Ak7611 . . 14:12, 11 October 2013
  20. (download) BBr3 opt HPC output ecm10 final.log . . 0 × 0 . . 50 KB . . Ecm10 . . 12:27, 23 November 2012
  21. (download) BBr3 opt gen.log . . 0 × 0 . . 50 KB . . Qwt11 . . 12:27, 14 November 2013
  22. (download) BBr3 opt gen JQ411.log . . 0 × 0 . . 49 KB . . Jq411 . . 12:12, 19 November 2012
  23. (download) BBr3 opt myl.log . . 0 × 0 . . 49 KB . . Ml4111 . . 23:24, 5 March 2014
  24. (download) BBr3 opt output.log . . 0 × 0 . . 9 KB . . Zc1111 . . 01:03, 12 February 2015
  25. (download) BBr3 opt ppandmixedbs new 2.mol . . 0 × 0 . . 442 bytes . . Hll211 . . 14:29, 13 November 2014
  26. (download) BBr3 opt summary1 maw210.txt . . 0 × 0 . . 427 bytes . . Maw210 . . 14:40, 14 November 2012
  27. (download) BBr3 opt summary maw210.txt . . 0 × 0 . . 427 bytes . . Maw210 . . 14:37, 14 November 2012
  28. (download) BBr3 optimisation.log . . 0 × 0 . . 50 KB . . Ss2510 . . 15:57, 12 November 2013
  29. (download) BBr3 optimisation log file.log . . 0 × 0 . . 49 KB . . Sdb10 . . 13:19, 17 January 2013
  30. (download) BBr3 optimistion JND.log . . 0 × 0 . . 49 KB . . Jd2210 . . 14:22, 15 January 2013
  31. (download) BBr3 optimization TW.log . . 0 × 0 . . 49 KB . . Tew111 . . 14:19, 13 November 2013
  32. (download) BBr3 optimization log file.txt . . 0 × 0 . . 50 KB . . Hl3010 . . 18:54, 19 November 2012
  33. (download) BBr3 output 12.log . . 0 × 0 . . 50 KB . . Zc1111 . . 01:04, 12 February 2015
  34. (download) BBr3 output 12 2 jmol.mol . . 0 × 0 . . 493 bytes . . Zc1111 . . 01:01, 12 February 2015
  35. (download) BBr3 output HPC logfile.log . . 0 × 0 . . 49 KB . . Aa9410 . . 12:50, 20 February 2013
  36. (download) BBr3 plswork web OPt.log . . 0 × 0 . . 50 KB . . Em316 . . 16:13, 18 May 2018
  37. (download) BBr3 pp bbs opt1.log . . 0 × 0 . . 49 KB . . Ep1612 . . 15:12, 9 December 2014
  38. (download) BBr3 pp bbs opt1.mol . . 0 × 0 . . 480 bytes . . Ep1612 . . 15:12, 9 December 2014
  39. (download) BBr3 pp bs opt1.log.log . . 0 × 0 . . 49 KB . . Rp1912 . . 17:41, 11 November 2014
  40. (download) BBr3 pp bs opt1jsmol.mol . . 0 × 0 . . 479 bytes . . Rp1912 . . 17:33, 11 November 2014
  41. (download) BBr3 pseudo freq egm.log . . 0 × 0 . . 112 KB . . Em2216 . . 14:48, 3 May 2018
  42. (download) BBr3 summary.txt . . 0 × 0 . . 417 bytes . . Ajg110 . . 15:47, 18 February 2013
  43. (download) BBr3 trial 3(Log File).log . . 0 × 0 . . 50 KB . . Ps3712 . . 10:59, 2 March 2015
  44. (download) BBr3firstgck.mol . . 0 × 0 . . 442 bytes . . Gck12 . . 18:02, 11 November 2014
  45. (download) BBr3myl.mol . . 0 × 0 . . 430 bytes . . Ml4111 . . 23:24, 5 March 2014
  46. (download) BBr3optGEN.log . . 0 × 0 . . 49 KB . . Mwb11 . . 22:17, 27 February 2014
  47. (download) BBr3text.txt . . 0 × 0 . . 50 KB . . Ec1210 . . 14:18, 24 January 2013
  48. (download) BC1015 CL2OPTIMISATION.LOG . . 0 × 0 . . 268 KB . . Bc1015 . . 14:59, 4 March 2016
  49. (download) BC1015 H2OPTIMISATION.LOG . . 0 × 0 . . 95 KB . . Bc1015 . . 16:05, 29 February 2016
  50. (download) BC1015 HCLOPTIMISATION.LOG . . 0 × 0 . . 150 KB . . Bc1015 . . 14:23, 3 March 2016

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