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1 - 10 of 19 search results for TALK:PC53 20 |u:www-jmg.ch.cam.ac.uk where 0 match all words and 19 match some words.

  1. Results that match 1 of 2 words

  2. Page 3: Boron-Mediated Aldol Reactions

    https://www-jmg.ch.cam.ac.uk/stuff/ECTOC3/p3.html
    26 Jul 2005: to. boat A. 20.66. A. acetone. formaldehyde. -6.07. -7.82. -0.84. 17.38. ... 18.74. 8.75. 16.23. 20.35. 9.66. collapse. to. boat A. 23.43. E.

  3. https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_amber_vacuo_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_amber_vacuo_mc.log
    26 Jul 2005: 20.66 ( 0.058) rejected by structure 6 Minimization converged; gradient = 0.353E-01. ... structure 8 CONF 1 E = 20.14 ( 0.170) rejected by energy Minimization converged; gradient = 0.351E-01.

  4. https://www-jmg.ch.cam.ac.uk/stuff/lactam/cisdimer_mm2_chcl3_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/cisdimer_mm2_chcl3_mc.log
    26 Jul 2005: 2 CONF 1 E = -1.34 ( 0.815) rejected by energy CONF 1 E = -15.44 ( 4.976) rejected by energy CONF 1 E = -20.67 ( 0.371) rejected by energy ... E = -57.29 ( 3.711) is unique and stored as structure 20 CONF 1 E = -8.20 ( 0.328) rejected by energy CONF 1 E =

  5. https://www-jmg.ch.cam.ac.uk/stuff/lactam/translactam_amber_vacuo_mc.l…

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/translactam_amber_vacuo_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = 20.51 ( 0.038) rejected by structure 17 Minimization converged; gradient = 0.459E-01. ... LT. 0.500E-01 CONF 1 E = 20.51 ( 0.049) replaces structure 17 Minimization converged; gradient = 0.477E-01.

  6. https://www-jmg.ch.cam.ac.uk/stuff/lactam/translactam_amber_chcl3_mc.l…

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/translactam_amber_chcl3_mc.log
    26 Jul 2005: CONF 1 E = -220.28 ( 0.121) is unique and stored as structure 20 Minimization converged; gradient = 0.480E-01. ... LT. 0.500E-01 CONF 1 E = -227.20 ( 0.046) rejected by structure 1 Minimization converged; gradient = 0.422E-01.

  7. https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_mm2_chcl3_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_mm2_chcl3_mc.log
    26 Jul 2005: E = 20.06 ( 0.358) is unique and stored as structure 111 Minimization converged; gradient = 0.367E-01. ... E = 20.98 ( 0.333) replaces structure 11 Minimization converged; gradient = 0.466E-01.

  8. https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_mm2_chcl3_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_mm2_chcl3_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = 20.89 ( 0.045) rejected by structure 17 Minimization converged; gradient = 0.334E-01. ... by structure 19 CONF 1 E = -8.96 ( 0.657) rejected by structure 20 Minimization converged; gradient = 0.477E-01.

  9. https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_amber_chcl3_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_amber_chcl3_mc.log
    26 Jul 2005: rejected by structure 20 CONF 1 E = -255.74 ( 0.055) replaces structure 12 Minimization converged; gradient = 0.438E-01. ... 224.20 ( 0.161) rejected by structure 15 Minimization converged; gradient = 0.441E-01.

  10. https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_mm2_vacuo_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_mm2_vacuo_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = 79.53 ( 0.041) rejected by structure 20 Minimization converged; gradient = 0.444E-01. ... LT. 0.500E-01 CONF 1 E = 79.53 ( 0.048) rejected by structure 20 Minimization converged; gradient = 0.320E-01.

  11. https://www-jmg.ch.cam.ac.uk/stuff/lactam/translactam_mm3_chcl3_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/translactam_mm3_chcl3_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = 88.05 ( 0.048) replaces structure 20 Minimization converged; gradient = 0.290E-01. ... LT. 0.500E-01 CONF 1 E = 88.04 ( 0.026) replaces structure 20 Minimization converged; gradient = 0.483E-01.

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