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1 - 10 of 15 search results for KaKaoTalk:vb20 200 |u:www-jmg.ch.cam.ac.uk where 0 match all words and 15 match some words.

  1. Results that match 1 of 2 words

  2. 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: 0.206) rejected by structure 27 CONF 1 E = -200.05 ( 0.245) replaces structure 15 Minimization converged; gradient = 0.398E-01. ... 1 E = -200.06 ( 0.077) rejected by starting geometry CONF 1 E = -220.28 ( 0.331) rejected by structure 20 Minimization

  3. 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 = -200.96 ( 0.050) rejected by starting geometry Minimization converged; gradient = 0.376E-01. ... LT. 0.500E-01 CONF 1 E = -200.75 ( 0.036) rejected by starting geometry Minimization converged; gradient = 0.457E-01.

  4. 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: LT. 0.500E-01 CONF 1 E = -179.17 ( 0.046) rejected by energy CONF 1 E = -200.48 ( 0.231) rejected by energy Minimization converged; gradient = 0.463E-01. ... LT. 0.500E-01 CONF 1 E = -200.50 ( 0.044) rejected by energy CONF 1 E = -197.90 ( 0.132)

  5. 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: rejected by energy CONF 1 E = -539.10 ( 2.200) is unique and stored as structure 90 CONF 1 E = -449.18 ( 0.125) rejected by energy CONF 1 E = ... 1 E = -487.50 ( 4.890) rejected by energy CONF 1 E = -535.51 ( 1.200) is unique and stored as structure 125

  6. 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: CONF 1 E = -39.92 ( 0.555) is unique and stored as structure 149 CONF 1 E = -10.45 ( 0.842) rejected by energy CONF 1 E = -31.46 ( 1.200) ... 199 CONF 1 E = 20.44 ( 2.440) rejected by energy CONF 1 E = -46.97 ( 1.270) is unique and stored as structure

  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: 200) rejected by starting geometry CONF 1 E = 14.34 ( 0.063) replaces structure 137 CONF 1 E = 30.49 ( 0.061) replaces structure 151 CONF 1 E = 29.39 ( ... 374) is unique and stored as structure 200 CONF 1 E = 17.08 ( 2.770) is unique and stored as

  8. 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: E = 78.63 ( 0.473) is unique and stored as structure 45 CONF 1 E = 66.75 ( 0.200) is unique and stored as structure 46 CONF 1 E = 64.21 ( ... 76.91 ( 1.200) rejected by structure 135 CONF 1 E = 60.45 ( 0.391) rejected by structure 28 CONF 1 E = 76.10 (

  9. 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: by structure 6 CONF 1 E = -5.28 ( 0.200) rejected by structure 4 CONF 1 E = -20.65 ( 0.205) rejected by structure 6 Minimization converged; gradient = 0.470E-01. ... 0.082) rejected by structure 8 CONF 1 E = 6.80 ( 0.468) rejected by starting geometry

  10. 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: BatchMin V4.0 5K750 Starting Time 12-May-94 13:13:24 Input filename: /usr/export/people/rpm1000/translactam_amber_vacuo_mc.dat Output filename: /usr/export/people/rpm1000/translactam_amber_vacuo_mc.out Force field:

  11. 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: 71 ( 0.437) is unique and stored as structure 199 CONF 1 E = -169.73 ( 2.257) is unique and stored as structure 200 Minimization converged; gradient = 0.497E-01.

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