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24 Aug 2007: Chemical Informatics Letters. Volume 11, Issue 2; August 2005. Editor: Jonathan M Goodman. 13). Green Chemistry Assistant. This website from St Olaf College which is aimed mainly at undergraduates and does some chemical calculations and analyses the

24 Aug 2007: British PhD Theses (Chem. Inf. Lett. 2007, 15, #2, 20). PhysChem. ... Python in bioinformatics and chemical informatics (Chem. Inf. Lett. 2005, 11, #2, 20).

24 Aug 2007: Chemical Informatics Letters. Volume 10, Issue 2; February 2005. Editor: Jonathan M Goodman. 13). Syracuse Research Corporation. The Syracuse Research Corporation provides a variety of free services including a PBT Profiler for estimating Persistent,

26 Jul 2005: LT. 0.500E-01 CONF 1 E = 20.51 ( 0.038) rejected by structure 17 Minimization converged; gradient = 0.459E-01. ... LT. 0.500E-01 CONF 1 E = 20.51 ( 0.049) replaces structure 17 Minimization converged; gradient = 0.477E-01.

27 Jul 2006: 18, 2004, and the Japanese counterpart patents expire June 20, 2004. ... Submission of data is open, but peer reviewed and the database contains over 5000 spectra - and fewer compounds - submitted by fewer than 20 people.

26 Jul 2005: to. boat A. 20.66. A. acetone. formaldehyde. -6.07. -7.82. -0.84. 17.38. ... 18.74. 8.75. 16.23. 20.35. 9.66. collapse. to. boat A. 23.43. E.

24 Aug 2007: It has been applied to the Beilstein database to show. (20) British PhD Theses http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#20 How can you find out

24 Aug 2007: Centre International de Recherche Scientifique [CIRS] (Chem. Inf. Lett. 2004, 8, #2, 20). ... Google hosting for open source (Chem. Inf. Lett. 2006, 13, #2, 20).

6 Jan 2011: C. 15. H. 32. 38.98. C. 20. H. 42. 47.87. ... 19.96. C. 4. H. 10. 9.09. C. 9. H. 20. 22.68.

25 Jan 2011: i] = atomtype2atomweight(atomtypes[i]); ox[i] = Double.valueOf(currLine.substring(9,19).trim()).doubleValue(); oy[i] = Double.valueOf(currLine.substring(20,32).trim()).doubleValue(); oz[i] =

26 Jul 2005: CONF 1 E = -220.28 ( 0.121) is unique and stored as structure 20 Minimization converged; gradient = 0.480E-01. ... LT. 0.500E-01 CONF 1 E = -227.20 ( 0.046) rejected by structure 1 Minimization converged; gradient = 0.422E-01.

24 Aug 2007: Centre International de Recherche Scientifique [CIRS] (Chem. Inf. Lett. 2004, 8, #2, 20). ... Python in bioinformatics and chemical informatics (Chem. Inf. Lett. 2005, 11, #2, 20).

26 Jul 2005: LT. 0.500E-01 CONF 1 E = 20.89 ( 0.045) rejected by structure 17 Minimization converged; gradient = 0.334E-01. ... by structure 19 CONF 1 E = -8.96 ( 0.657) rejected by structure 20 Minimization converged; gradient = 0.477E-01.

26 Jul 2005: E = 20.06 ( 0.358) is unique and stored as structure 111 Minimization converged; gradient = 0.367E-01. ... E = 20.98 ( 0.333) replaces structure 11 Minimization converged; gradient = 0.466E-01.

24 Aug 2007: Python in bioinformatics and chemical informatics (Chem. Inf. Lett. 2005, 11, #2, 20). ... Centre International de Recherche Scientifique [CIRS] (Chem. Inf. Lett. 2004, 8, #2, 20).

26 Jul 2005: LT. 0.500E-01 CONF 1 E = 79.53 ( 0.041) rejected by structure 20 Minimization converged; gradient = 0.444E-01. ... LT. 0.500E-01 CONF 1 E = 79.53 ( 0.048) rejected by structure 20 Minimization converged; gradient = 0.320E-01.

26 Jul 2005: rejected by structure 20 CONF 1 E = -255.74 ( 0.055) replaces structure 12 Minimization converged; gradient = 0.438E-01. ... 224.20 ( 0.161) rejected by structure 15 Minimization converged; gradient = 0.441E-01.

26 Jul 2005: LT. 0.500E-01 CONF 1 E = 88.05 ( 0.048) replaces structure 20 Minimization converged; gradient = 0.290E-01. ... LT. 0.500E-01 CONF 1 E = 88.04 ( 0.026) replaces structure 20 Minimization converged; gradient = 0.483E-01.

26 Jul 2005: LT. 0.500E-01 CONF 1 E = 99.20 ( 0.046) replaces structure 36 Minimization converged; gradient = 0.337E-01. ... LT. 0.500E-01 CONF 1 E = 99.20 ( 0.046) rejected by structure 7 Minimization converged; gradient = 0.385E-01.

26 Jul 2005: LT. 0.500E-01 CONF 1 E = 64.00 ( 0.046) rejected by starting geometry CONF 1 E = 80.91 ( 1.934) is unique and stored as structure 20 Minimization converged; ... 27 CONF 1 E = 60.46 ( 0.181) is unique and stored as structure 28 CONF 1 E = 60.48 ( 1.052)

26 Jul 2005: 532.06 ( 2.541) is unique and stored as structure 19 CONF 1 E = -540.04 ( 2.026) is unique and stored as structure 20 CONF 1 E = -493.19 ( ... E = -467.20 ( 1.370) rejected by energy CONF 1 E = -519.12 ( 3.094) is unique and stored as structure 80 CONF 1

26 Jul 2005: LT. 0.500E-01 CONF 1 E = 147.94 ( 0.048) is unique and stored as structure 20 CONF 1 E = 149.73 ( 1.822) rejected by structure 4 Minimization converged; ... LT. 0.500E-01 CONF 1 E = 147.94 ( 0.042) rejected by structure 20 CONF 1 E = 156.94 ( 0.101)

26 Jul 2005: LT. 0.500E-01 CONF 1 E = -175.29 ( 0.049) replaces structure 20 Minimization converged; gradient = 0.448E-01. ... LT. 0.500E-01 CONF 1 E = -175.30 ( 0.038) replaces structure 20 Minimization converged; gradient = 0.385E-01.

26 Jul 2005: 20 CONF 1 E = 105.39 ( 0.107) rejected by structure 1 Minimization converged; gradient = 0.483E-01. ... LT. 0.500E-01 CONF 1 E = 134.91 ( 0.035) replaces structure 20 Minimization converged; gradient = 0.494E-01.

26 Jul 2005: LT. 0.500E-01 CONF 1 E = 98.20 ( 0.037) replaces structure 13 Minimization converged; gradient = 0.314E-01. ... 01. LT. 0.500E-01 CONF 1 E = 96.20 ( 0.048) replaces structure 6 Minimization converged; gradient = 0.332E-01.

26 Jul 2005: 312) is unique and stored as structure 20 Minimization converged; gradient = 0.463E-01. ... 223.20 ( 0.106) replaces structure 37 Minimization converged; gradient = 0.399E-01.

26 Jul 2005: LT. 0.500E-01 CONF 1 E = 120.42 ( 0.038) is unique and stored as structure 20 Minimization converged; gradient = 0.491E-01. ... LT. 0.500E-01 CONF 1 E = 120.42 ( 0.047) rejected by structure 20 Minimization converged; gradient = 0.319E-01.

15 Apr 2008: 2. 0.15616. 20.3495. 0.871933. 747. 585.4. N(C)CCCC12c3c(C(c4ccccc14)CC2)cccc3. ... 26-27H,(H,19,22)(H,24,25)/b21-20+. sulfathiazole. 25.59.

8 Jan 2009: 0.0856Phenol dimer 4.02 4.02 -20.88 28.92 0.4358. ... 0.0840Phenol dimer 4.02 4.02 -20.73 28.78 0.3490.