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1 - 9 of 9 search results for People aliens |u:www-jmg.ch.cam.ac.uk where 0 match all words and 9 match some words.

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  2. ACKNOWLEDGEMENTS. I am grateful to the following people who ...

    https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa6_inst.html
    8 Nov 2010: e.g. /usr/people/jim/xed, /usr/people/jim/data, etc.). Enter the following lines into your /.login file (replace jim with your userid). ... setenv COSMIC_FFF /usr/people/jim/fff. alias xed '$COSMIC/xed'. alias xedsort '$COSMIC/xedsort'. In /xed directory,

  3. DP4 instructions: step 4

    https://www-jmg.ch.cam.ac.uk/tools/nmr/DP4/step4.html
    30 Sep 2010: the goodman group. university of cambridge. DP4 calculation: step 4. Calculation of DP4 and assignment of structures. The program calculates how likely each calculated spectrum is to correspond to the experimental spectrum and assigns a probability

  4. Book 7. INPUT & OUTPUT- Before discussing the book ...

    https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xbk7.html
    8 Nov 2010: a full path filename.extension e.g. /usr/people/jim/data/junk.kst. If the file exists, it will be read. ... usr/people/jim. READ CCDC FILES:.

  5. DP4 instructions: step 3

    https://www-jmg.ch.cam.ac.uk/tools/nmr/DP4/step3.html
    30 Sep 2010: the goodman group. university of cambridge. DP4 calculation: step 3. Check assignments. Clicking on the Show Assignments button causes the program to display, for each isomer, which experimental shift it has matched up with which calculated shift.

  6. 5) The BATCH Submission Procedure.

    https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xbt_ast.html
    8 Nov 2010: The CPU is given top priority live and this option could impede your or other people's work especially if you are networked.

  7. Goodman group NMR parameters

    https://www-jmg.ch.cam.ac.uk/tools/nmr/nmrParameters.html
    26 Aug 2010: the goodman group. university of cambridge. Goodman group NMR parameters. Please choose the appropriate parameter for your assignment:. If you have two spectra to assign to two possible compounds (one way round or the other) we recommend using the

  8. DP4 instructions: step 1

    https://www-jmg.ch.cam.ac.uk/tools/nmr/DP4/step1.html
    30 Sep 2010: the goodman group. university of cambridge. DP4 calculation: step 1. Choosing the database version and probability distribution. Choosing the database version. The parameters used to calculate DP4 are taken from a database of calculated shifts

  9. DP4 instructions: step 2

    https://www-jmg.ch.cam.ac.uk/tools/nmr/DP4/step2.html
    30 Sep 2010: the goodman group. university of cambridge. DP4 calculation: step 2. Entering the data. DP4 requires one set of experimental data plus the calculated data for each of the candidate structures. It can work with either 13C data or 1H data, but the

  10. Instructions for the calculation of DP4

    https://www-jmg.ch.cam.ac.uk/tools/nmr/DP4/instructions.html
    30 Sep 2010: the goodman group. university of cambridge. DP4 calculation. How do I calculate DP4? DP4 is a parameter which helps to assign structure and stereochemistry by comparing experimental and calculated NMR spectra. DP4 requires experimental shifts for

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