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Alkane Global Minima News
https://www-jmg.ch.cam.ac.uk/stuff/alkanes/news.html6 Jan 2011: 200. H. 402. has been found by Chuan-Tze Teo (Cambridge University, Department of Chemistry). -
CP3 instructions: step 2
https://www-jmg.ch.cam.ac.uk/tools/nmr/step2.html6 May 2024: The text field should be edited to give:. 202.200 C1 45.700 C2 15.500 C4 13.600 C3. ... This can be entered as:. 202.200 C1 45.700 C2 15.500 C3,C4 13.600 C3,C4. -
java
https://www-jmg.ch.cam.ac.uk/cil/SGTL/java.html6 May 2024: university of cambridge. java. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Java. Java is an object oriented programming language, -
Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html24 Aug 2007: Technology Research News has 200 000 visitors a month, but needs to ask for donations. -
Trp-cage
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/pdb1l2y.html6 May 2024: 118,37,94,159,210,199,294,185,280,252,266,82,6,172,222,179,163,58,3,160,211,138,78,119,19,95,38,200,186,281,59, -
Silicon
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/silicon.html7 Jun 2011: 100 - 200. Daily dietary intake : 18 - 1200 mg. ... Up to 200 individual items of information on this element are available in The Elements. -
Alkane Global Minima
https://www-jmg.ch.cam.ac.uk/stuff/alkanes/comp.html15 Feb 2012: 202. 36.06 kJ / mol. C. 200. H. 402. -59.78 kJ / mol. ... a time convenient to both the prize winner and the organiser, at a pub within 200 yards of the University Chemistry Laboratory, Cambridge. -
RRF - routines
https://www-jmg.ch.cam.ac.uk/cil/SGTL/routines.html6 May 2024: The angular momentum routines all use factorials. The largest available value is factorial(200), which should suffice for most purposes. -
Mercury
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/mercury.html7 Jun 2011: C = 12.0000) : 200.59. P H Y S I C A L D A T A. ... Up to 200 individual items of information on this element are available in The Elements. -
Isomer counting Java program
https://www-jmg.ch.cam.ac.uk/tools/isomercount/isojava.html6 May 2024: whichone=16; calculateButton = new JButton("Calculate"); calculateButton.setBackground(new Color(200,200,255)); display1 = new JTextField(); display1.setEditable(true); display2 = new JTextArea(); display2.setEditable(false); JScrollPane scrollPane2 -
index of InChI
https://www-jmg.ch.cam.ac.uk/data/molecules/inchiindex.html6 May 2024: university of cambridge. index of InChI. Goodman Group, 2005-2024; privacy; last updated May 6, 2024. -
Archive: Chemical Informatics Letters
https://www-jmg.ch.cam.ac.uk/CIL/archive/vol11.html27 Jul 2006: Technology Research News has 200 000 visitors a month, but needs to ask for donations. -
Alkane Conformation Hunt
https://www-jmg.ch.cam.ac.uk/stuff/alkanes/6 Jan 2011: H. 22. , and C. 200. H. 22. suggests that alkanes can develop secondary and tertiary structures in a manner analogous to that of proteins. -
Samarium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/samarium.html7 Jun 2011: Earth's crust / p.p.m. : 7.9. Residence time / years : 200. ... Up to 200 individual items of information on this element are available in The Elements. -
DNA (ten base pairs)
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/dna10.html6 May 2024: 79(102)107-32-109-81(74)132)185-57(47)27-175-200(153,154)190-43-10-65(127-7-5-62(100)116-95(127)144)181-54( ... 56(45)26-172-200(155,156)189-44-12-67(128-8-5-63(100)119-95(128)143)179-54(44)24-170-198(151,152)187-42-10- -
DP4 instructions: step 2
https://www-jmg.ch.cam.ac.uk/tools/nmr/DP4/step2.html30 Sep 2010: For example:. 200.5(C1), 45.5(C2), 14.8(C3), 16.4 (C4). The assignments (in brackets) tell the program which experimental shifts it may match up with which calculated -
8) Appendices
https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa1_br.html8 Nov 2010: The minimiser should terminate before 200 iterations Note down the ENERGY [18kcals/mole or so?] look at the various energy contributions from bond angle, vdW etc. -
Lanthanum
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/lanthanum.html7 Jun 2011: Earth's crust / p.p.m. : 32. Residence time / years : 200. ... Up to 200 individual items of information on this element are available in The Elements. -
CONFORMATION HUNTER: (see Appendix4) The hunter takes the screen ...
https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xbk6_ch.html8 Nov 2010: For a serious investigation, 200 twist randomisations are recommended. The default is set lower because we usually want a representative set of conformations rather than many similar structures close to the -
Butane Energy
https://www-jmg.ch.cam.ac.uk/stuff/alkanes/c4.html6 Jan 2011: 0.237 -178.4 0.002 O1 1 a H-C-C-H 632 7 4 1 11 0.200 0.270 0.093 180.0 0.000 O1 1 a -
Sn Tin Atomic number : 50 Relative atomic mass ...
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/tin.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
https://www-jmg.ch.cam.ac.uk/data/solubility/s100.txt
https://www-jmg.ch.cam.ac.uk/data/solubility/s100.txt15 Apr 2008: 8(13-5)14-7(10)11/h4,16-17H,1-3,12H2,(H2,9,15)(H4,10,11,13,14) fenoprofen 24.91 10 0.161863 200.349 30.3899 -
Gold
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/gold.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Iron
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/iron.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Zinc
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/zinc.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Neon
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/neon.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Lead
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/lead.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
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.log26 Jul 2005: 0.206) rejected by structure 27 CONF 1 E = -200.05 ( 0.245) replaces structure 15 Minimization converged; gradient = 0.398E-01. ... 1 E = -200.06 ( 0.077) rejected by starting geometry CONF 1 E = -220.28 ( 0.331) rejected by structure 20 Minimization -
Radon
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/radon.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Argon
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/argon.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Boron
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/boron.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Xenon
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/xenon.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Curium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/curium.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Osmium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/osmium.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
100 data
https://www-jmg.ch.cam.ac.uk/data/solubility/soldataswap.xls5 Aug 2008: 0.161863. 200.349. 30.3899. 270.1. 28.37. CC(C(O)=O)c1cccc(Oc2ccccc2)c1. -
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: LT. 0.500E-01 CONF 1 E = -179.17 ( 0.046) rejected by energy CONF 1 E = -200.48 ( 0.231) rejected by energy Minimization converged; gradient = 0.463E-01. ... LT. 0.500E-01 CONF 1 E = -200.50 ( 0.044) rejected by energy CONF 1 E = -197.90 ( 0.132) -
Erbium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/erbium.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Sulfur
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/sulfur.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
PDFJSCHSupInf
https://www-jmg.ch.cam.ac.uk/data/forcefield/supinfJSCH2005.pdf8 Jan 2009: bond (1RB9) const 39.09 -91.75 -76.82 24.16 0.1650Glu47 : Lys6 (PDB:1IU5) const 200.91 12.38 -118.24 331.53 0.3430Glu49 : Lys6 (PDB:1BQ9) const ... 392.61 0.2180Glu50 : LysK30 (PDB:1BRF) const 72.83 -8.43 -200.73 265.14 0.1580. -
Sodium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/sodium.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Indium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/indium.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Copper
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/copper.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
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.log26 Jul 2005: LT. 0.500E-01 CONF 1 E = -200.96 ( 0.050) rejected by starting geometry Minimization converged; gradient = 0.376E-01. ... LT. 0.500E-01 CONF 1 E = -200.75 ( 0.036) rejected by starting geometry Minimization converged; gradient = 0.457E-01. -
Silver
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/silver.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Oxygen
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/oxygen.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Radium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/radium.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Helium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/helium.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Barium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/barium.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Cerium
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/cerium.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements. -
Cobalt
https://www-jmg.ch.cam.ac.uk/resources/misc/weii/cobalt.html7 Jun 2011: Up to 200 individual items of information on this element are available in The Elements.
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