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  2. APPENDIX 2 XED/COSMIC ATOM TYPES XED/Cosmic Atom Types - ...

    https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa2_typ.html
    8 Nov 2010: I. single. 1. xx. 20. Metal. User defined. x. 0. 21.

  3. 8) Appendices

    https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa1_br.html
    8 Nov 2010: 17. 3. 19. 2. 3. 3. 0. 20. 32. 52.

  4. 5) The BATCH Submission Procedure.

    https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xbt_ast.html
    8 Nov 2010: You may specify a time in the following format: '14:30' (to start at 2.30 pm today) or '18.20 May 31' (to start at 6.20 pm on May

  5. CONFORMATION HUNTER: (see Appendix4) The hunter takes the screen ...

    https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xbk6_ch.html
    8 Nov 2010: The default is 20 kcals/mole. All conformers within 20 kcals/mole of the global minimum will be kept up to a maximum (2000 at present)).

  6. APPENDIX 5 FILE FORMATS 17.108 25 25 Ethyl Sulphonamide ...

    https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa5_fmt.html
    8 Nov 2010: 10 11 11 12 12 13 1 14 1 15. 1 16 2 17 2 18 3 19 7 20. ... 1 16 2 17 2 18 3 19 7 20. 7 21 9 22 10 23 12 24 13 25.

  7. APPENDIX 3 XEDs - THEIR MEANING & USE EXtended ...

    https://www-jmg.ch.cam.ac.uk/cil/SGTL/xed/xa3_4.html
    8 Nov 2010: If flexible rings are present, it is first subjected to a chosen number of torsional dynamics cycles, each over 1000 cycles with a structure collection at 20 cycles t a temperature

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