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91 - 100 of 111 search results for katalk:PC53 24 / |u:www-jmg.ch.cam.ac.uk where 0 match all words and 111 match some words.

  1. Results that match 1 of 2 words

  2. CIL Index

    https://www-jmg.ch.cam.ac.uk/CIL/autoindexI.html
    24 Aug 2007: Masters course in Chemical Informatics (Chem. Inf. Lett. 2005, 11, #2, 24).

  3. 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

  4. 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.

  5. CIL Index

    https://www-jmg.ch.cam.ac.uk/CIL/autoindexS.html
    24 Aug 2007: JoeLib (Chem. Inf. Lett. 2003, 6, #2, 24). ... Xdrawchem (Chem. Inf. Lett. 2007, 14, #2, 24). Chem. Inf. Lett.

  6. 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.

  7. CIL Index

    https://www-jmg.ch.cam.ac.uk/CIL/autoindexC.html
    24 Aug 2007: Masters course in Chemical Informatics (Chem. Inf. Lett. 2005, 11, #2, 24). ... collections. Chem. Inf. Lett. 2004, 8, #2, 24). Colours.

  8. 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.

  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: LT. 0.500E-01 CONF 1 E = 36.78 ( 0.041) rejected by energy CONF 1 E = 20.86 ( 0.059) rejected by energy CONF 1 E = 28.24 ( 0.537) ... 167) rejected by energy CONF 1 E = 10.20 ( 0.425) is unique and stored as structure 24 Minimization converged; gradient =

  10. https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_mm3_chcl3_mc.log

    https://www-jmg.ch.cam.ac.uk/stuff/lactam/cislactam_mm3_chcl3_mc.log
    26 Jul 2005: LT. 0.500E-01 CONF 1 E = 98.24 ( 0.049) rejected by structure 13 Minimization converged; gradient = 0.426E-01. ... LT. 0.500E-01 CONF 1 E = 95.28 ( 0.034) replaces structure 24 Minimization converged; gradient = 0.315E-01.

  11. CIL Index

    https://www-jmg.ch.cam.ac.uk/CIL/autoindexall.html
    24 Aug 2007: Molecular Design Group at Trinity College Dublin (Chem. Inf. Lett. 2004, 8, #2, 24). ... Masters course in Chemical Informatics (Chem. Inf. Lett. 2005, 11, #2, 24).

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