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1 - 20 of 182 search results for katalk:za31 24 / / / / / |u:www-wales.ch.cam.ac.uk where 0 match all words and 182 match some words.

  1. Results that match 1 of 2 words

  2. Bibliography

    https://www-wales.ch.cam.ac.uk/OPTIM.doc/node67.html
    3 Jul 2024: Next: About this document. Up: OPTIM User Guide Previous:Bibliography. D. J. Wales, Energy Landscapes, Cambridge University Press, Cambridge (2003). 2. A. D. MacKerell, D. Bashford, M. Bellott, R. L. Dunbrack, J. D. Evanseck, M. J. Field, S. Fischer,

  3. The Cambridge Energy Landscape Database

    https://www-wales.ch.cam.ac.uk/CCD.html
    13 Jun 2024: S.; Gallegos, M.; Martin Pendas, A.; Rocha-Rinza, T. Wave Function Analyses of Scandium-Doped Aluminium Clusters, AlnSc (n=1-24), and Their CO2 Fixation Abilities.

  4. LWOTP

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node38.html
    3 Jul 2024: 3 # three sites class 1 site 0.0 -0.528902226860823 0.0 orient 0.0 0.0 0.0 # 0.0, -2/3 sin 7pi/24, 0.0 class 1 site ... 0.608761429008721 0.264451113430412 0.0 orient 0.0 0.0 0.0 # cos 7pi/24, 1/3 sin 7pi/24, 0.0 class 1 site -0.608761429008721

  5. Recent Changes

    https://www-wales.ch.cam.ac.uk/PATHSAMPLE.2.1.doc/node3.html
    3 Jul 2024: Recent Changes. 27/6/24 bug fixes to prevent CONNECTUNC from going out of bounds when there are more cpus available than candidates.

  6. Index of /examples/GMIN/C7

    https://www-wales.ch.cam.ac.uk/examples/GMIN/C7/
    Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6351. ... Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6352.

  7. Index of /~wales/CCD/Fe_GAP_nanoparticles

    https://www-wales.ch.cam.ac.uk/~wales/CCD/Fe_GAP_nanoparticles/
    2023-02-24 15:07. 2.5M. ... 2023-02-24 15:11. 73K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  8. Yarrow

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Yarrow-r.html
    26 Feb 2018: Yarrow. [next]. Image 24 of 24. [reduced]. (41k). [large]. (142k). [original].

  9. TIP4P

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node39.html
    3 Jul 2024: 0 0.0 0.0 matrix # lj sig eps rep att 1 1 lj 1.0 0.25 2510.4d3 2552.24 # need eps = 1/4 to cancel the 4.0

  10. Index of /examples/OPTIM/rbaatip4p

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/rbaatip4p/
    2011-10-04 06:24. 1.0K. ... 2010-06-29 12:24. 406. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  11. Energy Landscapes: Frequently Asked Questions Thermodynamics The…

    https://www-wales.ch.cam.ac.uk/FAQ.pdf
    4 May 2024: from the multiplicity of alternative routes mediated by different transition. states [24–26]. ... Rev. E 93,012906 (2016). [24] P. Metzner, C. Schütte and E.

  12. Example data Files

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node42.html
    3 Jul 2024: FREEZE. 21 22 23 24 25 26 27 28 29 30.

  13. Index of /examples/GMIN/C60

    https://www-wales.ch.cam.ac.uk/examples/GMIN/C60/
    Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6351. ... Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6352.

  14. Index of /examples/OPTIM/LJ38.index2paths

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38.index2paths/
    Index of /examples/OPTIM/LJ38.index2paths. 2022-01-24 15:36. 6.7K. ... 2022-01-24 15:33. 60K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  15. Index of /examples/OPTIM/VASP

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

  16. 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.

  17. Index of /examples/GMIN/Si7

    https://www-wales.ch.cam.ac.uk/examples/GMIN/Si7/
    2022-07-05 10:24. 1.7K. ... 2022-07-05 10:24. 4.3K.

  18. Index of /examples/OPTIM/carbon.new

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.new/
    Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6351. ... Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6352.

  19. Yarrow

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Yarrow-l.html
    26 Feb 2018: Yarrow. [next]. Image 24 of 24. [reduced]. (41k). [large]. (142k). [original].

  20. Lupine

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Lupine.html
    26 Feb 2018: Lupine. [Image 11 of 24. [reduced]. (30k). [large]. (92k). [original]. (887k).

  21. Lupine

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Lupine-r.html
    26 Feb 2018: Lupine. [Image 11 of 24. [reduced]. (30k). [large]. (92k). [original]. (887k).

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