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- Date: 2005
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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.log26 Jul 2005: E = 122.27 ( 1.200) is unique and stored as structure 100 CONF 1 E = 103.31 ( 0.065) replaces structure 17 CONF 1 E = 122.86 ( 0.336) is unique -
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.log26 Jul 2005: 01. LT. 0.500E-01 CONF 1 E = 159.03 ( 0.025) rejected by structure 62 CONF 1 E = 159.97 ( 2.066) rejected by structure 82 CONF 1 E = -
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.log26 Jul 2005: LT. 0.500E-01 CONF 1 E = 72.57 ( 0.040) replaces structure 21 CONF 1 E = 92.50 ( 0.200) is unique and stored as structure 26 Minimization converged; gradient = -
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.log26 Jul 2005: 200) rejected by structure 12 Minimization converged; gradient = 0.442E-01. -
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.log26 Jul 2005: 55 ( 0.326) rejected by structure 7 CONF 1 E = 89.34 ( 0.110) rejected by structure 6 CONF 1 E = 142.03 ( 0.200) rejected by energy Minimization converged; gradient =
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