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RRF
https://www-jmg.ch.cam.ac.uk/cil/SGTL/rrf.html18 Jul 2024: university of cambridge. RRF. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Root Rational Fraction Program (RRF). A calculator program for -
miscellaneous molecules
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/18 Jul 2024: university of cambridge. miscellaneous molecules. Goodman Group, 2005-2024; privacy; last updated July 18, 2024. -
reverse polish notation
https://www-jmg.ch.cam.ac.uk/cil/SGTL/rpn.html18 Jul 2024: university of cambridge. reverse polish notation. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Reverse Polish Notation. Reverse Polish -
isoStar
https://www-jmg.ch.cam.ac.uk/cil/SGTL/isostar.html18 Jul 2024: university of cambridge. isoStar. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. IsoStar. These links are only available if you are logged -
Solutions to Kinetic Equations
https://www-jmg.ch.cam.ac.uk/software/kin_demo.html18 Jul 2024: university of cambridge. Solutions to Kinetic Equations. A detailed description of these programs has been submitted for publication:. J. Chem. Ed. (1999) 76, 275-277. Goodman Group, 2005-2024; privacy; last updated July 18, 2024. -
books and reviews
https://www-jmg.ch.cam.ac.uk/cil/SGTL/books.html18 Jul 2024: university of cambridge. books and reviews. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Books and Reviews. General Text Books:. Chemical -
methane
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/methane.html18 Jul 2024: university of cambridge. methane. SMILES. C. Canonical SMILES. C. InChI. InChI=1/CH4/h1H4. AuxInfo=1/0/N:2/rA:5nHCHHH/rB:s1;s2;s2;s2;/rC:-.0412,.7697,0;-.0412,-.0553,0;-.7557,-.4678,0;.3713,-.7697,0;.7557,-.2688,0;. MInChI v0.9. MInChIxe1 CH4 h1H4. -
propane
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/propane.html18 Jul 2024: university of cambridge. propane. SMILES. CCC. Canonical SMILES. CCC. InChI. InChI=1/C3H8/c1-3-2/h3H2,1-2H3. AuxInfo=1/0/N:1,3,2/E:(1,2)/rA:3nCCC/rB:s1;s2;/rC:-.7145,-.2062,0;0,.2062,0;.7145,-.2062,0;. MInChI v0.9. MInChIxe1 C3H8 c1xh3xh2xsh3 -
unpublished crystal structures
https://www-jmg.ch.cam.ac.uk/cil/SGTL/labquest.html18 Jul 2024: university of cambridge. unpublished crystal structures. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Unpublished Crystal Structures. -
benzene
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/benzene.html18 Jul 2024: university of cambridge. benzene. SMILES. C1=CC=CC=C1. Canonical SMILES. c1ccccc1 </testarea> <p> <b>InChI</b><br> <textarea name="inputData" cols="80" rows="8" readonly wrap=soft> InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H. AuxInfo=1/0/N:1,2,6,3,5,4/E:(1,2,3 -
amino acids
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/18 Jul 2024: university of cambridge. amino acids. Leu. L. (CH. 3. ). 2. CHCH. 2. Ile. I. CH. 3. CH. 2. CH(CH. 3. ). Tyr. Y. HOC. 6. H. 4. CH. 2. Trp. W. Indole-CH. 2. Thr. T. CH. 3. CH(OH). Met. M. CH. 3. SCH. 2. CH. 2. Asn. N. H. 2. NCOCH. 2. Gln. Q. H. 2. -
Periodic Table
https://www-jmg.ch.cam.ac.uk/tools/magnus/PeriodicTable.html18 Jul 2024: university of cambridge. Periodic Table. Sorry, your web browser does not support java. For best images, set your monitor to at least 256 colours. The data from this periodic table can be used to calculate a molecular weight from a formula and -
glucose
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/glucose.html18 Jul 2024: university of cambridge. glucose. SMILES. O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@]([H])(CO)O1. Canonical SMILES. OCC1OC(O)C(O)C(O)C1O. InChI. InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1. -
practical four: molecular dynamics
https://www-jmg.ch.cam.ac.uk/cil/SGTL/prac4.html18 Jul 2024: university of cambridge. practical four: molecular dynamics. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Practical Four: Molecular Dynamics -
calcium hydroxide with six water molecules
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/caohoh.html18 Jul 2024: university of cambridge. calcium hydroxide with six water molecules. Notes. This structure comes from minimising the energy of a Ca(OH). 2. 6H. 2. O cluster using B3LYP. SMILES. [H]O[Ca]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H]. Canonical -
Solubility Challenge
https://www-jmg.ch.cam.ac.uk/publications/ci800058v.html18 Jul 2024: university of cambridge. Solubility Challenge. Solubility Challenge: Can You Predict Solubilities of Thirty-Two Molecules Using a Database of One Hundred Reliable Measurements. A. Llinas, R. C. Glen, J. M. Goodman J. Chem. Inf. Model. 2008, 48, -
Alkanes which cannot be made
https://www-jmg.ch.cam.ac.uk/publications/ci0497657.html18 Jul 2024: university of cambridge. Alkanes which cannot be made. What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made? K. M. N. de Silva and J. M. Goodman J. Chem. Inf. Model. 2005, 45, 81-87. DOI: 10.1021/ci0497657. Related work:. 2005-2024; -
Molecular Square Host
https://www-jmg.ch.cam.ac.uk/publications/ja801508q.html18 Jul 2024: university of cambridge. Molecular Square Host. Dynamic Combinatorial Discovery of a [2]-Catenane and its Guest-Induced Conversion into a Molecular Square Host. K. R. West, R. F. Ludlow, P. T. Corbett, P. Besenius, F. M. Mansfeld, P. A. G. Cormack, -
biphenyl
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/biphenyl.html18 Jul 2024: university of cambridge. biphenyl. SMILES. C1(C2=CC=CC=C2)=CC=CC=C1. Canonical SMILES. c1ccc(cc1)c2ccccc2. InChI. InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H. -
ribose
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/ribose.html18 Jul 2024: university of cambridge. ribose. Alternate names D-ribose. beta-ribose. D-β-ribose. SMILES. O[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O1. Canonical SMILES. InChI. InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1.
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