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macromodel
https://www-jmg.ch.cam.ac.uk/cil/mmod.html6 May 2024: If two people draw cyclohexane and minimise it, one might get a chair conformation and the other a twist boat. -
chemistry in the united kingdom
https://www-jmg.ch.cam.ac.uk/data/c2k/uk.html6 May 2024: university of cambridge. chemistry in the united kingdom. c2k - Chemistry in the UK. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2021. United Kingdom. University Chemistry -
Molecules
https://www-jmg.ch.cam.ac.uk/tools/magnus/molecules/6 May 2024: university of cambridge. Molecules. Simple Structures. chair, boat, twist boat, methyl cyclohexane. Fused rings: trans-decalin, cis-decalin, bicyclo [2.2.2] octane, bicyclo [2.2.1] heptane (norbornane), adamantane. Other saturated rings: cyclo -
chng
https://www-jmg.ch.cam.ac.uk/software/chng.html6 May 2024: university of cambridge. chng. The program 'chng' which mutates molecules is available for downloading from this page. A full description of the program is available: J. Chem. Soc. Perkin II (1997) A. G. Leach and J. M. Goodman, 1205-1208. Please -
Brønsted or Lewis Acid Activation?
https://www-jmg.ch.cam.ac.uk/publications/ol802270u.html6 May 2024: university of cambridge. Brønsted or Lewis Acid Activation? Mechanistic Insights into the Catalytic Asymmetric Allylboration of Ketones: Brønsted or Lewis Acid Activation? R. S. Paton, J. M. Goodman and S. C. Pellegrinet Org. Lett. 2009, 11, -
utilities
https://www-jmg.ch.cam.ac.uk/cil/utilities.html6 May 2024: batq. List all jobs on the batch queues, including those submitted by other people (note. -
molecules
https://www-jmg.ch.cam.ac.uk/data/molecules/6 May 2024: university of cambridge. molecules. index of:. Notes. Interactive molecules using Jmol. SMILES strings from ChemDraw Pro. Canonical SMILES fromfrom cInChI version 1. MInChI is an experiment. Goodman Group, 2005-2024; privacy; last updated May 6, 2024 -
Consecutive reactions
https://www-jmg.ch.cam.ac.uk/tools/magnus/kinetic.html6 May 2024: university of cambridge. Consecutive reactions. Consecutive first step reversible reactions. A turns into B, with rate constant k. 1. , which turns into C, with rate constant k. 2. Now, B can turn back into A, with rate constant k. -1. Sorry, your -
ACCA
https://www-jmg.ch.cam.ac.uk/software/acca.html6 May 2024: university of cambridge. ACCA. This program combines. into a single executable, and adds many extra commands. Descriptions of some parts of Acca have been published:. J. Chem. Soc. Perkin II (1997) A. Bueno Saz and J. M. Goodman, 1201-1204. J. Chem. -
Thiourea catalysis
https://www-jmg.ch.cam.ac.uk/publications/b817283h.html6 May 2024: university of cambridge. Thiourea catalysis. What is the mechanism of amine conjugate additions to pyrazole crotonate catalyzed by thiourea catalysts? L. Simon and J. M. Goodman, Org. Biomol. Chem. 2009, 7, 483-487. Related work on proton-transfer -
Solubility Challenge
https://www-jmg.ch.cam.ac.uk/data/solubility/6 May 2024: university of cambridge. Solubility Challenge. Can You Predict Solubilities of Thirty-Two Molecules Using a Database of One Hundred Reliable Measurements? J. Chem. Inf. Modeling 2008, 48, 1289-1303. DOI: 10.1021/ci800058v. Antonio Llinàs, Robert C. -
chemical database service
https://www-jmg.ch.cam.ac.uk/cil/SGTL/CDS.html6 May 2024: university of cambridge. chemical database service. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Chemical Database Service at Daresbury. -
Kinetic Resolution Calculation
https://www-jmg.ch.cam.ac.uk/tools/magnus/KinRes.html6 May 2024: university of cambridge. Kinetic Resolution Calculation. Kinetic Resolution Calculation. Sorry, your web browser does not support java. The equations used by this applet were developed by H B Kagan. References are given in the paper: J M Goodman, -
Eadfrith
https://www-jmg.ch.cam.ac.uk/software/eadfrith.html6 May 2024: university of cambridge. Eadfrith. The molecular display program Eadfrith is available for downloading from this page. Eadfrith is described in: J. Mol. Graph. 1996, 14, 59-61. J. M. Goodman. Please cite this reference if you use the program. -
Ring-Opening Polymerization
https://www-jmg.ch.cam.ac.uk/publications/jo702088c.html6 May 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 -
zolpidem
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/zolpidem.html6 May 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. -
cerius2
https://www-jmg.ch.cam.ac.uk/cil/SGTL/cerius2.html6 May 2024: The license will only allow a very limited number of people to run Cerius2 concurrently, so it is possible that you will get a license error. -
Molecular Weight Calculation
https://www-jmg.ch.cam.ac.uk/tools/magnus/MolWeight.html6 May 2024: university of cambridge. Molecular Weight Calculation. Sorry, your web browser does not support java. The data for atomic weights and isotope distributions can be examined using the periodic table applet. August 2006: modified to allow for the -
Accessible Chemical Space of Alkanes
https://www-jmg.ch.cam.ac.uk/publications/ci700246b.html6 May 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 -
Solutions to Kinetic Equations
https://www-jmg.ch.cam.ac.uk/software/kin_demo.html6 May 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 May 6, 2024. -
contributors to acca
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/history.html6 May 2024: university of cambridge. contributors to acca. Contributors to Acca. A number of people have worked on Acca. -
chemists in the academic world
https://www-jmg.ch.cam.ac.uk/data/c2k/people/6 May 2024: university of cambridge. chemists in the academic world. Chemists in the Academic World. UK Universities. European Universities. USA Universities. Universities in the Rest of the World. The Java version is a single file of about 500 kB. It sometimes -
Molecular Formula
https://www-jmg.ch.cam.ac.uk/tools/magnus/EadFormW.html6 May 2024: university of cambridge. Molecular Formula. Sorry, your web browser does not support java. Enter a HRMS weight in the box, and click on. Find Formula. The search can be interrupted part way through, and the elements which have been fully -
Concomitant Hydrate Polymorphism
https://www-jmg.ch.cam.ac.uk/publications/cg700908m.html6 May 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 -
chemical data
https://www-jmg.ch.cam.ac.uk/data/c2k/data.html6 May 2024: university of cambridge. chemical data. Chemical Data. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2019. Databases at Cambridge. Databases available from within the department of -
jaguar
https://www-jmg.ch.cam.ac.uk/cil/jaguar.html6 May 2024: university of cambridge. jaguar. Jaguar may be used as an independent program, but it is easiest to set up calculations using the Maestro interface. Documentation as PDF files in the directory: /usr/glea/schrodinger/docs/jaguar4/pdf/. Helpful -
Experimental Data Checker
https://www-jmg.ch.cam.ac.uk/tools/magnus/checker.html6 May 2024: university of cambridge. Experimental Data Checker. > Sorry, your web browser does not support java. Experimental data checker: better information for organic chemists. S. E. Adams, J. M. Goodman, R. J. Kidd, A. D. McNaught, P. Murray-Rust, F. R. -
Conjugate Alkenylation of Enones
https://www-jmg.ch.cam.ac.uk/publications/jo8007463.html6 May 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 -
Solubility Challenge
https://www-jmg.ch.cam.ac.uk/publications/ci800058v.html6 May 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, -
3,3-di-tert-butyl-2,2,4,4-tetramethyl-pentane
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/c17.html6 May 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. -
Molecular Square Host
https://www-jmg.ch.cam.ac.uk/publications/ja801508q.html6 May 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, -
tryptophan
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/trp.html6 May 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, -
amino acids
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/6 May 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. -
acca - version 0.931
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/6 May 2024: university of cambridge. acca - version 0.931. Acca. Version 0.931. Acca is a program which assists in conformation searching. It takes an input file of structures in the MacroModel format, and produces an output file of these structures transformed -
calcium hydroxide with six water molecules
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/caohoh.html6 May 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 -
books and reviews
https://www-jmg.ch.cam.ac.uk/cil/SGTL/books.html6 May 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 -
glucose
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/glucose.html6 May 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. -
Boiling Points
https://www-jmg.ch.cam.ac.uk/tools/magnus/boil.html6 May 2024: university of cambridge. Boiling Points. The variation of boiling point with pressure. Sorry, your browser does not support Java. Trouton's rule ( F. Trouton. Nature 1883, 27, 292.) states that the entropy of vaporisation has almost the same value -
DL_POLY notes
https://www-jmg.ch.cam.ac.uk/cil/SGTL/dl_poly.html6 May 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 -
cyclohexane (chair)
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/cyclohexane.html6 May 2024: university of cambridge. cyclohexane (chair). SMILES. C1CCCCC1. Canonical SMILES. C1CCCCC1. InChI. InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2. -
mopac notes
https://www-jmg.ch.cam.ac.uk/cil/SGTL/mopac.html6 May 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 -
polyketides
https://www-jmg.ch.cam.ac.uk/data/molecules/polyketides/6 May 2024: university of cambridge. polyketides. Goodman Group, 2005-2024; privacy; last updated May 6, 2024. -
Michaelis Menten Equation
https://www-jmg.ch.cam.ac.uk/tools/magnus/michmenten.html6 May 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 -
royal society of chemistry
https://www-jmg.ch.cam.ac.uk/data/c2k/cj/rsc.html6 May 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 May 6, 2024. -
biphenyl
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/biphenyl.html6 May 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.html6 May 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. -
NMR calculation
https://www-jmg.ch.cam.ac.uk/publications/jo8003138.html6 May 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.html6 May 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 -
Polymorph control
https://www-jmg.ch.cam.ac.uk/publications/jdrudis200711006.html6 May 2024: university of cambridge. Polymorph control. Polymorph control: past, present and future. A. Llinas and J. M. Goodman Drug Discovery Today 2008, 13, 198-210. DOI: 10.1016/j.drudis.2007.11.006. Other papers on solubility and polymorphs include:. -
cambridge crystallographic database
https://www-jmg.ch.cam.ac.uk/cil/SGTL/CCDC.html6 May 2024: university of cambridge. cambridge crystallographic database. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Brief Introduction to the
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