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mopac notes
https://www-jmg.ch.cam.ac.uk/cil/SGTL/mopac.html18 Jul 2024: university of cambridge. mopac notes. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Mopac Notes. Mopac is a semi-empirical molecular -
Conjugate Alkenylation of Enones
https://www-jmg.ch.cam.ac.uk/publications/jo8007463.html18 Jul 2024: university of cambridge. Conjugate Alkenylation of Enones. Theoretical Study of the Asymmetric Conjugate Alkenylation of Enones Catalyzed by Binaphthols. R. S. Paton, J. M. Goodman and S. C. Pellegrinet J. Org. Chem. 2008, 73, 5078-5089. DOI: 10.1021 -
Predicting Intrinsic Aqueous Solubility
https://www-jmg.ch.cam.ac.uk/publications/mp7000878.html18 Jul 2024: university of cambridge. Predicting Intrinsic Aqueous Solubility. Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle. D. S. Palmer, A. Llinas, I. Morao, G. M. Day, J. M. Goodman, R. C. Glen, and J. B. O. Mitchell Molecular -
Concomitant Hydrate Polymorphism
https://www-jmg.ch.cam.ac.uk/publications/cg700908m.html18 Jul 2024: university of cambridge. Concomitant Hydrate Polymorphism. Concomitant Hydrate Polymorphism in the Precipitation of Sparfloxacin from Aqueous Solution. A. Llinas, J. C. Burley, T. J. Prior, R. C. Glen and J. M. Goodman Cryst. Growth Des. 2008, 8, 114 -
Ring-Opening Polymerization
https://www-jmg.ch.cam.ac.uk/publications/jo702088c.html18 Jul 2024: university of cambridge. Ring-Opening Polymerization. The Mechanism of TBD-Catalyzed Ring-Opening Polymerization of Cyclic Esters. L. Simon and J. M. Goodman J. Org. Chem. 2007, 72, 9656-9662. We show that the proton-transfer process, Mechanism B -
Accessible Chemical Space of Alkanes
https://www-jmg.ch.cam.ac.uk/publications/ci700246b.html18 Jul 2024: university of cambridge. Accessible Chemical Space of Alkanes. Exploration of the Accessible Chemical Space of Acyclic Alkanes. R. S. Paton and J. M. Goodman J. Chem. Inf. Model. 2007, 47, 2124-2132. DOI: 10.1021/ci700246b. It is not possible to -
Asymmetric Allylboration
https://www-jmg.ch.cam.ac.uk/publications/ja210200d.html18 Jul 2024: university of cambridge. Asymmetric Allylboration. Mechanistic Insights into the BINOL-Derived Phosphoric Acid-Catalyzed Asymmetric Allylboration of Aldehydes. M. N. Grayson, S. C. Pellegrinet and J. M. Goodman J. Am. Chem. Soc. 2012, 134, -
zolpidem
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/zolpidem.html18 Jul 2024: university of cambridge. zolpidem. Literature. Zolpidem, which is used as a sleeping pill, has also been reported to temporarily revive some people from a permanent vegetative state. -
writing www pages
https://www-jmg.ch.cam.ac.uk/cil/www.html18 Jul 2024: university of cambridge. writing www pages. Writing WWW Pages. Help for the Chemical Information Laboratory is provided on-line using a hypertext system based on the World Wide Web. If you click on any highlighted word or phrase, you will be taken -
java
https://www-jmg.ch.cam.ac.uk/cil/SGTL/java.html18 Jul 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, -
practical three: quantitative drug design
https://www-jmg.ch.cam.ac.uk/cil/SGTL/prac3.html18 Jul 2024: university of cambridge. practical three: quantitative drug design. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Practical Three: -
rasmol notes
https://www-jmg.ch.cam.ac.uk/cil/SGTL/rasmol.html18 Jul 2024: university of cambridge. rasmol notes. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Rasmol Notes. of Rasmol documentation is only -
sending mail
https://www-jmg.ch.cam.ac.uk/cil/SGTL/mail.html18 Jul 2024: university of cambridge. sending mail. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Mail. The Silicon Graphics Workstations are not set up -
beilstein/crossfire
https://www-jmg.ch.cam.ac.uk/cil/beilstein.html18 Jul 2024: university of cambridge. beilstein/crossfire. Beilstein. This page is now obsolete. Beilstein is available to all UK academic institutions. The service runs from Manchester. New users should read the registration information. The software and -
3-tert-butyl-3-isopropyl-2,2,4,4-tetramethyl-pentane
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/c16.html18 Jul 2024: university of cambridge. 3-tert-butyl-3-isopropyl-2,2,4,4-tetramethyl-pentane. Literature. What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made? K. M. de Silva and J. M. Goodman J. Chem. Inf. Model. 2005, 45, 81-87. DOI: -
tryptophan
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/trp.html18 Jul 2024: university of cambridge. tryptophan. Tryptophan. Trp. W. SMILES. N[C@@]([H])(CC1=CN([H])C2=C1C=CC=C2)C(O)=O. Canonical SMILES C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N. InChI. InChI=1/C11H13N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5H2,12H3, -
3,3-di-tert-butyl-2,2,4,4-tetramethyl-pentane
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/c17.html18 Jul 2024: university of cambridge. 3,3-di-tert-butyl-2,2,4,4-tetramethyl-pentane. Literature. What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made? K. M. de Silva and J. M. Goodman J. Chem. Inf. Model. 2005, 45, 81-87. DOI: 10.1021/ci0497657. -
Michaelis Menten Equation
https://www-jmg.ch.cam.ac.uk/tools/magnus/michmenten.html18 Jul 2024: university of cambridge. Michaelis Menten Equation. Michaelis-Menten. A reacts with E, and turns into B, with rate constant k. 1. , which turns into C and regenerates E, with rate constant k. 2. Now, B can turn back into A and E, with rate constant k -
ethane
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/ethane.html18 Jul 2024: university of cambridge. ethane. SMILES. CC. Canonical SMILES. CC. InChI. InChI=1/C2H6/c1-2/h1-2H3. AuxInfo=1/0/N:1,2/E:(1,2)/rA:2nCC/rB:s1;/rC:-.3572,.2062,0;.3572,-.2062,0;. MInChI v0.9. MInChIxe1 C2H6 c1xh2xsh1xh2 H3. Structure files. Updated: 9 -
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. -
cadpac notes
https://www-jmg.ch.cam.ac.uk/cil/SGTL/cadpac.html18 Jul 2024: university of cambridge. cadpac notes. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Cadpac Notes. Ab initio molecular orbital program. -
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 -
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 -
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 -
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 -
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. -
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 -
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; -
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, -
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, -
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. -
royal society of chemistry
https://www-jmg.ch.cam.ac.uk/data/c2k/cj/rsc.html18 Jul 2024: university of cambridge. royal society of chemistry. was Chemistry in Britain). includes Faraday Transactions). merging Perkin I and Perkin II). Goodman Group, 2005-2024; privacy; last updated July 18, 2024. -
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. -
contributors to acca
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/history.html18 Jul 2024: university of cambridge. contributors to acca. Contributors to Acca. A number of people have worked on Acca. -
DL_POLY notes
https://www-jmg.ch.cam.ac.uk/cil/SGTL/dl_poly.html18 Jul 2024: university of cambridge. DL_POLY notes. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. DL_POLY Notes. DL_POLY is a parallel molecular -
NMR calculation
https://www-jmg.ch.cam.ac.uk/publications/jo8003138.html18 Jul 2024: university of cambridge. NMR calculation. Stereostructure Assignment of Flexible Five-Membered Rings by GIAO. 13. C NMR Calculations: Prediction of the Stereochemistry of Elatenyne. S. G. Smith, R. S. Paton, J. W. Burton, and J. M. Goodman J. Org. -
1,5-Anti Stereocontrol
https://www-jmg.ch.cam.ac.uk/publications/jo701849x.html18 Jul 2024: university of cambridge. 1,5-Anti Stereocontrol. 1,5-Anti Stereocontrol in the Boron-Mediated Aldol Reactions of β-Alkoxy Methyl Ketones: The Role of the Formyl Hydrogen Bond. R. S. Paton and J. M. Goodman J. Org. Chem. 2008, 73, 1253-1263. This -
cyclohexane (chair)
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/cyclohexane.html18 Jul 2024: university of cambridge. cyclohexane (chair). SMILES. C1CCCCC1. Canonical SMILES. C1CCCCC1. InChI. InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2. -
indigo unix notes
https://www-jmg.ch.cam.ac.uk/cil/SGTL/UnixNotes.html18 Jul 2024: university of cambridge. indigo unix notes. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Indigo Unix Notes. Indigos run a windowing system, -
macroModel update
https://www-jmg.ch.cam.ac.uk/cil/SGTL/NewBmin.html18 Jul 2024: university of cambridge. macroModel update. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. MacroModel Update. If you do not understand any -
american chemical society
https://www-jmg.ch.cam.ac.uk/data/c2k/cj/acs.html18 Jul 2024: university of cambridge. american chemical society. Goodman Group, 2005-2024; privacy; last updated July 18, 2024. -
ISIS/draw and ISIS/base
https://www-jmg.ch.cam.ac.uk/cil/SGTL/MDL/mdl.html18 Jul 2024: university of cambridge. ISIS/draw and ISIS/base. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. ISIS/Draw and ISIS/Base. ISIS/Draw may be
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