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Did you mean pc524 |u:www-jmg.ch.cam.ac.uk?
1 - 10 of 19 search results for :pc53 24 / |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: boat B. constrained. ethanal. formaldehyde. 7.41. 1.84. 9.12. 14.24. 8.21. collapse.

  3. 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: 24.98 ( 0.344) is unique and stored as structure 10 CONF 1 E = -8.47 ( 0.974) rejected by energy CONF 1 E = -8.35 ( 1.043) rejected by energy ... LT. 0.500E-01 CONF 1 E = -27.89 ( 0.045) is unique and stored as structure 11 CONF 1 E = -24.94 ( 0.107) is

  4. 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 = 40.20 ( 0.043) rejected by energy CONF 1 E = 24.24 ( 0.123) is unique and stored as structure 12 CONF 1 E = ... 0.102) rejected by structure 16 CONF 1 E = -13.19 ( 0.631) rejected by starting geometry CONF 1 E = 24.24 ( 0.100)

  5. 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: 39 CONF 1 E = 18.61 ( 4.281) replaces structure 24 Minimization converged; gradient = 0.446E-01. ... 24.67 ( 0.110) is unique and stored as structure 90 Minimization converged; gradient = 0.428E-01.

  6. 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: 3 CONF 1 E = -201.24 ( 0.607) is unique and stored as structure 4 Minimization converged; gradient = 0.398E-01. ... 0.161) replaces structure 24 CONF 1 E = -221.33 ( 0.425) rejected by starting geometry Minimization converged; gradient = 0.456E-01.

  7. https://www-jmg.ch.cam.ac.uk/stuff/lactam/cisdimerbb_amber_chcl3_mc.lo…

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/cisdimerbb_amber_chcl3_mc.log
    26 Jul 2005: 1.221) rejected by energy CONF 1 E = -458.36 ( 0.436) rejected by energy CONF 1 E = -425.24 ( 0.931) rejected by energy CONF 1 E = -394.07 ( ... 1 E = -538.24 ( 1.494) is unique and stored as structure 13 CONF 1 E = -484.74 ( 0.352) rejected by energy

  8. https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_mm3_vacuo_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_mm3_vacuo_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = 154.00 ( 0.049) rejected by structure 24 Minimization converged; gradient = 0.380E-01. ... LT. 0.500E-01 CONF 1 E = 154.00 ( 0.028) rejected by structure 24 Minimization converged; gradient = 0.469E-01.

  9. 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 = 62.24 ( 0.044) replaces structure 31 Minimization converged; gradient = 0.360E-01. ... LT. 0.500E-01 CONF 1 E = 62.24 ( 0.032) replaces structure 31 Minimization converged; gradient = 0.439E-01.

  10. 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: 0.156) is unique and stored as structure 24 Minimization converged; gradient = 0.375E-01. ... LT. 0.500E-01 CONF 1 E = 6.97 ( 0.034) rejected by structure 24 Minimization converged; gradient = 0.316E-01.

  11. https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_mm3_vacuo_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_mm3_vacuo_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = 129.82 ( 0.048) rejected by structure 24 Minimization converged; gradient = 0.481E-01. ... LT. 0.500E-01 CONF 1 E = 129.82 ( 0.027) replaces structure 24 Minimization converged; gradient = 0.438E-01.

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