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chemistry journals
https://www-jmg.ch.cam.ac.uk/data/c2k/cj/18 Jul 2024: university of cambridge. chemistry journals. Chemistry Journals. Since 1995, this page has held one of the world's most comprehensive and up-to-date lists of internet-linked chemistry-related journals. Links Last Checked: June 2013 (If a link proved -
Kinetic Resolution Calculation
https://www-jmg.ch.cam.ac.uk/tools/magnus/KinRes.html18 Jul 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, -
utilities
https://www-jmg.ch.cam.ac.uk/cil/utilities.html18 Jul 2024: batq. List all jobs on the batch queues, including those submitted by other people (note. -
maestro - building molecules
https://www-jmg.ch.cam.ac.uk/cil/build.html18 Jul 2024: university of cambridge. maestro - building molecules. Maestro - Building Molecules. The Build panel for Maestro (Menu:. Project->Build. ) starts with the Fragments option displayed. Clicking on any of the fragments in the list and then clicking in -
chemists in the academic world
https://www-jmg.ch.cam.ac.uk/data/c2k/people/18 Jul 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 -
InChIKey Collision
https://www-jmg.ch.cam.ac.uk/data/inchi/18 Jul 2024: university of cambridge. InChIKey Collision. Two isomers of spongistatin: One InChIKey. InChIKey=. ICXJVZHDZFXYQC-RAZYNMGUSA-N. InChI=1S/C63H95ClO21/c1-33(19-42(67)18-17-35(3)64)20-53-55(72)57-39(7)58(79-53)59(73)63(75)31-51(70)37(5)52(85-63)16-14-12 -
jaguar
https://www-jmg.ch.cam.ac.uk/cil/jaguar.html18 Jul 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 -
Strecker Reaction
https://www-jmg.ch.cam.ac.uk/publications/ja808715j.html18 Jul 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 -
using a local directory
https://www-jmg.ch.cam.ac.uk/cil/SGTL/localdir.html18 Jul 2024: university of cambridge. using a local directory. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Using a local directory. The Silicon -
Hantzsch Ester Hydrogenation
https://www-jmg.ch.cam.ac.uk/publications/ja800793t.html18 Jul 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 -
chemistry societies, online clubs and companies
https://www-jmg.ch.cam.ac.uk/data/c2k/society.html18 Jul 2024: university of cambridge. chemistry societies, online clubs and companies. c2k - Chemistry Societies. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2019. Learned Societies. June 2019). -
Isomer Count
https://www-jmg.ch.cam.ac.uk/tools/isomercount/18 Jul 2024: university of cambridge. Exploration of the Accessible Chemical Space of Acyclic Alkanes. A problem that has long interested chemists has been to calculate the number of isomers for an alkane of any given carbon content. Whilst there appears to be -
Eadfrith
https://www-jmg.ch.cam.ac.uk/software/eadfrith.html18 Jul 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. -
Genetic Algorithm Conformation Search (gacs)
https://www-jmg.ch.cam.ac.uk/software/gacs.html18 Jul 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, -
flip
https://www-jmg.ch.cam.ac.uk/software/flip.html18 Jul 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 -
chng
https://www-jmg.ch.cam.ac.uk/software/chng.html18 Jul 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 -
ACCA
https://www-jmg.ch.cam.ac.uk/software/acca.html18 Jul 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. -
setting priorities
https://www-jmg.ch.cam.ac.uk/cil/SGTL/nice.html18 Jul 2024: university of cambridge. setting priorities. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Setting Priorities. Long calculations (this -
printing
https://www-jmg.ch.cam.ac.uk/cil/SGTL/print.html18 Jul 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 -
teaching and computers
https://www-jmg.ch.cam.ac.uk/cil/SGTL/teach/18 Jul 2024: university of cambridge. teaching and computers. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Teaching and Computers. How can Computers be -
cerius2
https://www-jmg.ch.cam.ac.uk/cil/SGTL/cerius2.html18 Jul 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. -
Experimental Data Checker
https://www-jmg.ch.cam.ac.uk/tools/magnus/checker.html18 Jul 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. -
Brønsted or Lewis Acid Activation?
https://www-jmg.ch.cam.ac.uk/publications/ol802270u.html18 Jul 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, -
Molecular Weight Calculation
https://www-jmg.ch.cam.ac.uk/tools/magnus/MolWeight.html18 Jul 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 -
conquest
https://www-jmg.ch.cam.ac.uk/cil/conquest.html18 Jul 2024: university of cambridge. conquest. In order to run Conquest, type:. cq. Conquest will generate a series of files beginning. searchname. (or whatever other filename you choose) with a number of extensions. This command will bring up the Conquest -
Molecular Formula
https://www-jmg.ch.cam.ac.uk/tools/magnus/EadFormW.html18 Jul 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 -
introduction to the world wide web
https://www-jmg.ch.cam.ac.uk/cil/wwwintro.html18 Jul 2024: university of cambridge. introduction to the world wide web. The World Wide Web. You are running a program which allows you to access data from around the world. In the documents you will often see highlighted phrases or images. If you click on a -
threonine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/thr.html18 Jul 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 -
isoleucine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/ile.html18 Jul 2024: university of cambridge. isoleucine. Isoleucine. Ile. I. SMILES. N[C@]([C@H](C)CC)([H])C(O)=O. Canonical SMILES CCC(C)C(N)C(=O)O. InChI. InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1. AuxInfo=1/1/N:6,7,5,3,2,8,1,9,10/E:(8 -
cambridge crystallographic database
https://www-jmg.ch.cam.ac.uk/cil/SGTL/CCDC.html18 Jul 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 -
protein data bank
https://www-jmg.ch.cam.ac.uk/cil/SGTL/Brookhaven.html18 Jul 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 -
Boiling Points
https://www-jmg.ch.cam.ac.uk/tools/magnus/boil.html18 Jul 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 -
acca - version 0.931
https://www-jmg.ch.cam.ac.uk/cil/SGTL/accadoc/18 Jul 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 -
Rotavap Simulator
https://www-jmg.ch.cam.ac.uk/tools/magnus/rotavap.html18 Jul 2024: university of cambridge. Rotavap Simulator. Rotavap Simulator. Sorry, your browser does not support Java. To use the applet, simply fill in all the boxes and press return or click the calculate button. To change between binary and ternary mixtures, -
Thiourea catalysis
https://www-jmg.ch.cam.ac.uk/publications/b817283h.html18 Jul 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 -
glycine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/gly.html18 Jul 2024: university of cambridge. glycine. Glycine. Gly. G. Glycine is achiral. SMILES. NCC(O)=O. Canonical SMILES NCC(=O)O. InChI. InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5). -
Calculation of CP3
https://www-jmg.ch.cam.ac.uk/tools/nmr/CP3.html18 Jul 2024: university of cambridge. Assignment of stereochemistry and structure using NMR and CP3. Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation. S. G. Smith and J. M. Goodman J. Org. Chem. 2009, 74, 4597-4607. -
serine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/ser.html18 Jul 2024: university of cambridge. serine. Serine. Ser. S. SMILES. OC[C@](C(O)=O)([H])N. Canonical SMILES NC(CO)C(=O)O. InChI. InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1. -
cysteine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/cys.html18 Jul 2024: university of cambridge. cysteine. Cysteine. Cys. C. SMILES. N[C@@H](CS)C(O)=O. Canonical SMILES NC(CS)C(=O)O. InChI. InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1. AuxInfo=1/1/N:3,2,5,1,6,7,4/E:(5,6)/it:im/rA:7nNCCSCOO/rB:s1;P2;s3;s2 -
valine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/val.html18 Jul 2024: university of cambridge. valine. Valine. Val. V. SMILES. N[C@@](C(O)=O)([H])C(C)C. Canonical SMILES CC(C)C(N)C(=O)O. InChI. InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1. -
leucine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/leu.html18 Jul 2024: university of cambridge. leucine. Leucine. Leu. L. SMILES. N[C@](CC(C)C)([H])C(O)=O. Canonical SMILES CC(C)CC(N)C(=O)O. InChI. InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1. -
methionine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/met.html18 Jul 2024: university of cambridge. methionine. Methionine. Met. M. SMILES. N[C@](CCSC)([H])C(O)=O. Canonical SMILES CSCCC(N)C(=O)O. InChI. InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1. AuxInfo=1/1/N:7,3,5,2,8,1,9,10,6/E:(7,8)/it:im/rA -
asparagine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/asn.html18 Jul 2024: university of cambridge. asparagine. Asparagine. Asn. A. SMILES. N[C@@H](CC(N)=O)C(O)=O. Canonical SMILES NC(CC(=O)N)C(=O)O. InChI. InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1. AuxInfo=1/1/N:3,2,7,4,1,9,8,5,6/E:(8,9)/it:im -
glutamine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/gln.html18 Jul 2024: university of cambridge. glutamine. Glutamine. Gln. Q. SMILES. N[C@H](C(O)=O)CCC(N)=O. Canonical SMILES NC(CCC(=O)N)C(=O)O. InChI. InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1. AuxInfo=1/1/N:4,1,3,5,8,2,7,6,9,10/E:(9 -
aspartic acid
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/asp.html18 Jul 2024: university of cambridge. aspartic acid. Aspartic Acid. Asp. D. SMILES. N[C@@H](CC(O)=O)C(O)=O. Canonical SMILES NC(CC(=O)O)C(=O)O. InChI. InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1. AuxInfo=1/1/N:3,2,7,4,1,8,9,5,6/E:(6,7)(8 -
lysine
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/lys.html18 Jul 2024: university of cambridge. lysine. Lysine. Lys. K. SMILES. N[C@](CCCCN)([H])C(O)=O. Canonical SMILES NCCCCC(N)C(=O)O. InChI. InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1. AuxInfo=1/1/N:5,6,3,7,2,9,8,1,10,11/E:(9,10)/it:im/rA -
Boltzmann Factors
https://www-jmg.ch.cam.ac.uk/tools/magnus/boltz.html18 Jul 2024: university of cambridge. Boltzmann Factors. Boltzmann Factors. Paul Kirby. Sorry, your browser does not support Java. Click on the graph to find the ratio expected for a particular energy difference. The temperature (in Kelvin) may be adjusted using -
Optical Rotation Calculation
https://www-jmg.ch.cam.ac.uk/tools/magnus/optRot.html18 Jul 2024: university of cambridge. Optical Rotation Calculation. Sorry, your web browser does not support java. Goodman Group, 2005-2024; privacy; last updated July 18, 2024. -
normal modes visualisation
https://www-jmg.ch.cam.ac.uk/cil/SGTL/cadNMA.html18 Jul 2024: university of cambridge. normal modes visualisation. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Normal Modes Visualisation. Cadpac and -
glutamic acid
https://www-jmg.ch.cam.ac.uk/data/molecules/amino/glu.html18 Jul 2024: university of cambridge. glutamic acid. Glutamic Acid. Glu. E. SMILES. N[C@H](C(O)=O)CCC(O)=O. Canonical SMILES NC(CCC(=O)O)C(=O)O. InChI. InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1. AuxInfo=1/1/N:4,1,3,5,8,2,6,7,9,10
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