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61 - 80 of 184 search results for katalk:za31 24 / / / / / |u:www-wales.ch.cam.ac.uk where 0 match all words and 184 match some words.

  1. Results that match 1 of 2 words

  2. https://www-wales.ch.cam.ac.uk/examples/OPTIM/ORCA.water/water_propert…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/ORCA.water/water_property.txt
    28 Apr 2023: functions: 24 number of aux C basis functions: 0 number of aux J basis functions: 0 number of aux JK basis functions: 0 number of aux CABS basis functions: 0 Total

  3. Index of /examples/OPTIM/VASP

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/VASP/
    2020-01-29 12:24. 378K.

  4. dscn0059

    https://www-wales.ch.cam.ac.uk/Telluride/David/3-Liberty_Bell.27.7.05/dscn0059-l.html
    26 Feb 2018: 2005-06-27 08:24. [Image 24 of 25. [reduced]. (53k). [large]. (193k). [original].

  5. dscn0131

    https://www-wales.ch.cam.ac.uk/Telluride/David/6-Imogene.31.7.05/dscn0131.html
    26 Feb 2018: [Image 24 of 38. [reduced]. (35k). [large]. (167k). [original]. (1639k).

  6. dscn0131

    https://www-wales.ch.cam.ac.uk/Telluride/David/6-Imogene.31.7.05/dscn0131-r.html
    26 Feb 2018: [Image 24 of 38. [reduced]. (35k). [large]. (167k). [original]. (1639k).

  7. dscn0021

    https://www-wales.ch.cam.ac.uk/Telluride/David/4-Cornet_Creek.28.7.05/dscn0021-l.html
    26 Feb 2018: 2005-06-28 04:42. [Image 24 of 37. [reduced]. (89k). [large]. (318k). [original].

  8. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.pm/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.pm. 2013-03-01 08:24. 1.5K. ... 2013-03-01 08:24. 81K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  9. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.ef/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.ef. 2013-03-01 08:24. 1.4K. ... 2013-03-01 08:24. 78K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  10. Global Minima of Cobalt Nanoclusters

    https://www-wales.ch.cam.ac.uk/~wales/CCD/CoCCD/cobalt.html
    26 Feb 2018: Cobalt Nanoclusters: Table of Global Minima obtained using Gupta potential. Global minima for Cobalt nanoclusters (2-200) interacting with the Gupta potential. For each minimum the energy and point group are given. The unit of energy is eV. Click on

  11. Index of /examples/PATHSAMPLE/DisconnectivityGraphs/test.LJ38

    https://www-wales.ch.cam.ac.uk/examples/PATHSAMPLE/DisconnectivityGraphs/test.LJ38/
    2024-03-24 16:13. 805.

  12. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.pm/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.pm. 2013-03-01 08:24. 1.7K. ... 2013-03-01 08:24. 91K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  13. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.ef/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.ef. 2013-03-01 08:24. 1.5K. ... 2013-03-01 08:24. 83K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  14. p1010025

    https://www-wales.ch.cam.ac.uk/Telluride/SemenAndTetyana/7-Ingram_Lake.4.8.05/p1010025-r.html
    26 Feb 2018: [Image 24 of 58. [reduced]. (100k). [large]. (378k). [original]. (866k).

  15. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.bsmin/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.bsmin. 2013-03-01 08:24. 42K. ... 2013-03-01 08:24. 2.2M. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  16. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.bsmin/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.bsmin. 2013-03-01 08:24. 26K. ... 2013-03-01 08:24. 1.4M. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  17. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.rkmin/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.rkmin. 2013-03-01 08:24. 43K. ... 2013-03-01 08:24. 2.3M. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  18. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.lbfgs/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.lbfgs. 2013-03-01 08:24. 6.5K. ... 2013-03-01 08:24. 356K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  19. Global minima for the Thomson problem

    https://www-wales.ch.cam.ac.uk/~wales/CCD/Thomson/table.html
    26 Feb 2018: 185.2875361. 23. 203.9301906. 24. 223.3470740. 25. 243.8127602. 26. 265.1333263. 27. 287.3026150.

  20. dscn0171

    https://www-wales.ch.cam.ac.uk/Telluride/David/7-Ingram_Lake.4.8.05/dscn0171-r.html
    26 Feb 2018: [Image 24 of 32. [reduced]. (39k). [large]. (157k). [original]. (1492k).

  21. OPTIM website

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/
    16 Nov 2023: 24. cluster with a tiny gap on a very noisy PES.

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