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1 - 5 of 5 search results for katalk:Vb20 808 |u:www-jmg.ch.cam.ac.uk where 0 match all words and 5 match some words.

  1. Results that match 1 of 2 words

  2. 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: E = -498.03 ( 3.030) rejected by energy CONF 1 E = -497.10 ( 0.816) rejected by energy CONF 1 E = -503.80 ( 3.808) rejected by energy CONF 1 E = ... 541.41 ( 1.034) is unique and stored as structure 88 CONF 1 E = -407.98 ( 0.427) rejected by energy CONF

  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: 0.579) rejected by energy CONF 1 E = -57.03 ( 0.683) rejected by energy CONF 1 E = -42.26 ( 1.808) rejected by energy CONF 1 E = -22.43 (

  4. 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: 334) rejected by structure 5 CONF 1 E = -186.10 ( 0.271) rejected by structure 23 CONF 1 E = -184.99 ( 0.808) rejected by structure 7 Minimization converged; gradient =

  5. 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: 1.296) rejected by structure 7 CONF 1 E = 112.90 ( 1.658) is unique and stored as structure 90 CONF 1 E = 97.89 ( 7.808) is unique and stored

  6. 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: BatchMin V4.0 5K750 Starting Time 29-May-94 13:43:57 Input filename: /tmp_mnt/usr/people/rpm1000/transtbutyl_amber_chcl3_mc.dat Output filename: /tmp_mnt/usr/people/rpm1000/transtbutyl_amber_chcl3_mc.out Solvent file:

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