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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/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.

  4. https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_mm3_chcl3_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_mm3_chcl3_mc.log
    26 Jul 2005: 22 CONF 1 E = 99.22 ( 0.211) is unique and stored as structure 23 CONF 1 E = 111.45 ( 0.491) is unique and stored as structure 24 CONF 1

  5. https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_mm2_vacuo_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_mm2_vacuo_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = 84.44 ( 0.041) replaces structure 24 Minimization converged; gradient = 0.478E-01. ... E = 73.24 ( 0.170) rejected by structure 36 Minimization converged; gradient = 0.413E-01.

  6. 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.

  7. https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_amber_vacuo_mc.l…

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_amber_vacuo_mc.log
    26 Jul 2005: E = -174.05 ( 1.276) is unique and stored as structure 122 CONF 1 E = -180.24 ( 0.156) replaces structure 116 Minimization converged; gradient = 0.411E-01. ... LT. 0.500E-01 CONF 1 E = -174.24 ( 0.038) replaces structure 122 Minimization converged;

  8. https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_amber_chcl3_mc.l…

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/transtbutyl_amber_chcl3_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = -209.88 ( 0.036) is unique and stored as structure 24 CONF 1 E = -225.45 ( 0.105) rejected by structure 15 CONF 1 ... LT. 0.500E-01 CONF 1 E = -230.49 ( 0.049) replaces structure 6 CONF 1 E = -227.24 ( 0.164) replaces structure

  9. https://www-jmg.ch.cam.ac.uk/stuff/lactam/translactam_mm3_vacuo_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/translactam_mm3_vacuo_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = 144.45 ( 0.033) rejected by structure 24 Minimization converged; gradient = 0.458E-01. ... LT. 0.500E-01 CONF 1 E = 144.45 ( 0.028) replaces structure 24 Minimization converged; gradient = 0.346E-01.

  10. 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: structure 24 Minimization converged; gradient = 0.438E-01. ... LT. 0.500E-01 CONF 1 E = 89.33 ( 0.047) rejected by structure 6 CONF 1 E = 84.24 ( 0.453) rejected by structure 19 Minimization converged; gradient =

  11. 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)

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