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- Date: 2005
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mi.eng.cam.ac.uk/reports/svr-ftp/auto-pdf/knill_tr193.pdf9 Aug 2005: 2 f > f 35350 J<?L t'g<] e ]25342 gn h' [ <h'h <k% l e%f s<?]lxgk e 24<0l. ... 35 n J<?gh'l>lL2q0@ ' [ < f t_<?00 f 2' >'g#e[[ 35 e 24<0Nt e e,f / / l. (&) -
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mi.eng.cam.ac.uk/reports/svr-ftp/auto-pdf/blackburn_thesis.pdf9 Aug 2005: " #$ %& '& ()!,&-&. 0/ 12436587:9 ;=<?>"@BAC361D4EGF!H 24@. I8JLKNMOKQPSRUTWVXNXZY-[YT]_'aOJ=KZbO[cYd. T]_'aOJ=KZbO[cY'eGMOKNfcYJ=gLKQPSRihMO[cKZMOY-YJ=KZMO[kj Ylm]J=Pn_,Y-MoP. ... D>WH 7 m;6D1 33 24; "5 @ 5 D>"@!;m;6>W@ 9G7 58< 7. -
Examples2.dvi
www.damtp.cam.ac.uk/user/na/PartII/Examples2.pdf7 Feb 2005: y0, n = 0, 1, 2,. 24. The following four-stage Runge–Kutta method has order four,. -
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.log26 Jul 2005: 24.98 ( 0.344) is unique and stored as structure 10 CONF 1 E = -8.47 ( 0.974) rejected by energy CONF 1 E = -8.35 ( 1.043) rejected by energy ... LT. 0.500E-01 CONF 1 E = -27.89 ( 0.045) is unique and stored as structure 11 CONF 1 E = -24.94 ( 0.107) is -
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 = 62.24 ( 0.044) replaces structure 31 Minimization converged; gradient = 0.360E-01. ... LT. 0.500E-01 CONF 1 E = 62.24 ( 0.032) replaces structure 31 Minimization converged; gradient = 0.439E-01. -
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.log26 Jul 2005: 3 CONF 1 E = -201.24 ( 0.607) is unique and stored as structure 4 Minimization converged; gradient = 0.398E-01. ... 0.161) replaces structure 24 CONF 1 E = -221.33 ( 0.425) rejected by starting geometry Minimization converged; gradient = 0.456E-01. -
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: 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. -
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.log26 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. -
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.log26 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. -
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: 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.
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