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The Goodman Group, Cambridge
https://www-jmg.ch.cam.ac.uk/8 Jul 2024: university of cambridge. synthesis, computation and informatics. We use chemical informatics, computational chemistry, machine learning and AI to investigate molecules and to discover more about their structure, reactivity, analytical data and -
computational biological chemistry
https://www-jmg.ch.cam.ac.uk/cil/SGTL/bio/index.html6 May 2024: university of cambridge. computational biological chemistry. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Computational Biological -
Magnus
https://www-jmg.ch.cam.ac.uk/tools/magnus/6 May 2024: university of cambridge. Magnus. Experimental Data Checker__. RSC experimental data checker. Periodic Table: atomic and molecular properties. Kinetics and Thermodynamics. Miscellaneous. a javascript program to calculate quantities for reactions -
c2k
https://www-jmg.ch.cam.ac.uk/data/c2k/6 May 2024: university of cambridge. c2k. Two thousand of the best chemistry sites. All of these sites are checked every month; 140 countries listed. This index and the programs used to maintain it are developed in thei) Organic. (vi) Engineering and Technology. -
Strecker Reaction
https://www-jmg.ch.cam.ac.uk/publications/ja808715j.html6 May 2024: university of cambridge. Strecker Reaction. Mechanism of BINOL-Phosphoric Acid-Catalyzed Strecker Reaction of Benzyl Imines. L. Simon and J. M. Goodman J. Am. Chem. Soc. 2009. 131, asap. DOI:Building on the work reported in ja800793t we examined -
Genetic Algorithm Conformation Search (gacs)
https://www-jmg.ch.cam.ac.uk/software/gacs.html6 May 2024: university of cambridge. Genetic Algorithm Conformation Search (gacs). A detailed description of gacs and its applications have been published:. J. Chem. Inf. and Comp. Sci. (1998) N. Nair and J. M. Goodman, 1998, 38, 317-320. Goodman Group, -
Goodman Group Members
https://www-jmg.ch.cam.ac.uk/people.html8 Jul 2024: university of cambridge. group members. Jonathan Goodman. Ching Ching Lam. Katie Beckwith. Ruslan Kotlyarov. Henrique Marcon. Matthew Edge. Benji Rowlands. Kerstin van Borries. Tom Maltby. Alex Lapsley. Roger Linington (Visiting Professor). Mengman -
NMR calculation resources: CP3 and DP4
https://www-jmg.ch.cam.ac.uk/tools/nmr/6 May 2024: university of cambridge. Assignment of stereochemistry and structure using CP3 and DP4. Resources. Publications. DP4-AI Automated NMR Data Analysis: Straight from Spectrometer to Structure. A. Howarth, K. Ermanis and J. M. Goodman. Chemical Science -
data
https://www-jmg.ch.cam.ac.uk/data/6 May 2024: university of cambridge. data. Chemical Literature. Subscription required:. New molecules. Part III data. 2005-2024; privacy; last updated May 6, 2024. -
silicon graphics teaching laboratory
https://www-jmg.ch.cam.ac.uk/cil/SGTL/6 May 2024: university of cambridge. silicon graphics teaching laboratory. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Silicon Graphics Teaching -
Hantzsch Ester Hydrogenation
https://www-jmg.ch.cam.ac.uk/publications/ja800793t.html6 May 2024: university of cambridge. Hantzsch Ester Hydrogenation. Theoretical Study of the Mechanism of Hantzsch Ester Hydrogenation of Imines Catalyzed by Chiral BINOL-Phosphoric Acids. L. Simón and J. M. Goodman J. Am. Chem. Soc. 2008, 130, 8741-8747. This -
flip
https://www-jmg.ch.cam.ac.uk/software/flip.html6 May 2024: university of cambridge. flip. The stereoinverting program 'flip' is available for downloading from this page. A full description of the program is available: J. Chem. Soc. Perkin II (1997) A. Bueno Saz and J. M. Goodman, 1201-1204. Please cite this -
Jonathan M Goodman
https://www-jmg.ch.cam.ac.uk/jmg.html8 Jul 2024: university of cambridge. jonathan goodman. Professor of Chemistry at the University of Cambridge. Fellow of Clare College. formerly Publons and ResearcherID: A-2123-2008). Jonathan Goodman studied boron-mediated aldol reactions during his PhD with -
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 -
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 -
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. -
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, -
Contact the Goodman Group
https://www-jmg.ch.cam.ac.uk/contact.html8 Jul 2024: university of cambridge. contact. Email:. Tel:. 44 (0)1223 336434. Write:. Yusuf Hamied Department of Chemistry,. Lensfield Road,. Cambridge,. CB2 1EW. Goodman Group, 2005-2024; privacy; last updated July 9, 2024. -
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 -
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 -
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 -
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. -
tools
https://www-jmg.ch.cam.ac.uk/tools.html8 Jul 2024: university of cambridge. tools. Software developed in the Goodman Research Group is available in this directory. This program combines. into a single executable, and adds many extra commands. Acca Documentation is available. CP3 - NMR comparison -
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 -
Search
https://www-jmg.ch.cam.ac.uk/search.html8 Jul 2024: university of cambridge. search. the chemistry department webservers. Search. the Goodman Group webserver. Search. the index of chemistry departments worldwide. Search. publications from the Cambridge chemistry department. Search. the Cambridge -
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. -
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. -
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. -
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 -
Chemical History
https://www-jmg.ch.cam.ac.uk/history.html8 Jul 2024: university of cambridge. chemical history. Today in Chemical History: Tuesday, July 9th, 2024. Born on this day, 1926. Nobel Prize in Physics, 1975 "for the discovery of the connection between collective motion and particle motion in atomic nuclei -
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 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 -
printing
https://www-jmg.ch.cam.ac.uk/cil/SGTL/print.html6 May 2024: university of cambridge. printing. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Printing. To print out files, use an ethernet connected -
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 -
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. -
studies
https://www-jmg.ch.cam.ac.uk/studies.html8 Jul 2024: university of cambridge. studies. A series of representations of an enzyme moving. experimental data checker. Check molecular data in theses and papers - project with the RSC andCheck molecular weights, find formulae from high-resolution mass spec -
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 -
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. -
Optical Rotation Calculation
https://www-jmg.ch.cam.ac.uk/tools/magnus/optRot.html6 May 2024: university of cambridge. Optical Rotation Calculation. Sorry, your web browser does not support java. Goodman Group, 2005-2024; privacy; last updated May 6, 2024. -
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 -
Former Group Members
https://www-jmg.ch.cam.ac.uk/oldmembers.html8 Jul 2024: university of cambridge. former group members. Russell Currie. Stephen Smith. Post Doctoral Researchers. Dr Antonio Llinas-----Dr Maxim Fedorov. PhD Candidates. John Brazier----------Ingrid Socorro-----Catherine Tubb----. Rob Paton----------Sergiy -
threonine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/thr.html6 May 2024: university of cambridge. threonine. Threonine. Thr. T. SMILES. O[C@H](C)[C@](C(O)=O)([H])N. Canonical SMILES CC(O)C(N)C(=O)O. InChI. InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1. AuxInfo=1/1/N:9,4,3,5,2,1,6,7/E:(7,8)/it:im/rA -
The Eyring Equation
https://www-jmg.ch.cam.ac.uk/tools/magnus/eyring.html6 May 2024: university of cambridge. The Eyring Equation. The Eyring Equation applet. Sorry, your browser does not support Java. J. M. Goodman, P. D. Kirby, and L. O. Haustedt Tetrahedron Lett. 2000, 41, 9879-9882. Goodman Group, 2005-2024; privacy; last -
protein data bank
https://www-jmg.ch.cam.ac.uk/cil/SGTL/Brookhaven.html6 May 2024: university of cambridge. protein data bank. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Protein Data Bank. Formerly the Brookhaven -
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, -
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, -
power of prime input and output
https://www-jmg.ch.cam.ac.uk/cil/SGTL/pp.html6 May 2024: university of cambridge. power of prime input and output. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Power of Prime input and output.
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