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1 - 50 of 182 search results for katalk:PC53 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
    23 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. LWOTP

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node38.html
    23 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

  4. 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.

  5. OPTIM website

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/
    22 Jul 2024: 24. cluster with a tiny gap on a very noisy PES.

  6. Recent Changes

    https://www-wales.ch.cam.ac.uk/PATHSAMPLE.2.1.doc/node3.html
    23 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.

  7. 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].

  8. 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.

  9. TIP4P

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node39.html
    23 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/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.

  11. Example data Files

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

  12. 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.

  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. 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.

  17. 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.

  18. 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].

  19. 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).

  20. Ragwort

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Ragwort.html
    26 Feb 2018: Ragwort. [Image 16 of 24. [reduced]. (28k). [large]. (90k). [original]. (888k).

  21. Fireweed

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Fireweed.html
    26 Feb 2018: Fireweed. 2005-06-25 06:12. [Image 6 of 24. [reduced]. (63k). [large]. (185k).

  22. Harebell

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Harebell.html
    26 Feb 2018: Harebell. [Image 8 of 24. [reduced]. (38k). [large]. (106k). [original]. (927k).

  23. Primrose

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Primrose.html
    26 Feb 2018: Primrose. [Image 15 of 24. [reduced]. (68k). [large]. (194k). [original]. (914k).

  24. Fireweed

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Fireweed-r.html
    26 Feb 2018: Fireweed. 2005-06-25 06:12. [Image 6 of 24. [reduced]. (63k). [large]. (185k).

  25. Primrose

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Primrose-r.html
    26 Feb 2018: Primrose. [Image 15 of 24. [reduced]. (68k). [large]. (194k). [original]. (914k).

  26. 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.

  27. Index of /examples/PATHSAMPLE/xtb.gfnff.water21

    https://www-wales.ch.cam.ac.uk/examples/PATHSAMPLE/xtb.gfnff.water21/
    2020-07-14 09:24. 9.1K. ... 2020-07-14 09:24. 13K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  28. Lupine

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

  29. The Cambridge Energy Landscape Database

    https://www-wales.ch.cam.ac.uk/~wales/CCD/ArNO.html
    26 Feb 2018: 22. -1.048877 eV. 23. -1.099168 eV. 24. -1.155019 eV. 25. -1.215636 eV.

  30. ChimingBells

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/ChimingBells.html
    26 Feb 2018: ChimingBells. [Image 2 of 24. [reduced]. (68k). [large]. (195k). [original]. (895k).

  31. ElephantHead

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/ElephantHead.html
    26 Feb 2018: ElephantHead. [Image 5 of 24. [reduced]. (45k). [large]. (145k). [original]. (882k).

  32. Paintbrushes

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Paintbrushes.html
    26 Feb 2018: Paintbrushes. 2005-06-29 05:18. [Image 13 of 24. [reduced]. (80k). [large]. (237k).

  33. Ragwort

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Ragwort-l.html
    26 Feb 2018: Ragwort. [Image 16 of 24. [reduced]. (28k). [large]. (90k). [original]. (888k).

  34. ChimingBells

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/ChimingBells-r.html
    26 Feb 2018: ChimingBells. [Image 2 of 24. [reduced]. (68k). [large]. (195k). [original]. (895k).

  35. ElephantHead

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/ElephantHead-r.html
    26 Feb 2018: ElephantHead. [Image 5 of 24. [reduced]. (45k). [large]. (145k). [original]. (882k).

  36. GoldenBanner

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/GoldenBanner-r.html
    26 Feb 2018: GoldenBanner. [Image 7 of 24. [reduced]. (27k). [large]. (82k). [original]. (897k).

  37. MariposaLily

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/MariposaLily-r.html
    26 Feb 2018: MariposaLily. [Image 12 of 24. [reduced]. (58k). [large]. (214k). [original]. (878k).

  38. Paintbrushes

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Paintbrushes-r.html
    26 Feb 2018: Paintbrushes. 2005-06-29 05:18. [Image 13 of 24. [reduced]. (80k). [large]. (237k).

  39. WildGeranium

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/WildGeranium-r.html
    26 Feb 2018: WildGeranium. [Image 23 of 24. [reduced]. (50k). [large]. (138k). [original]. (949k).

  40. DarkPenstemon

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/DarkPenstemon.html
    26 Feb 2018: DarkPenstemon. [Image 4 of 24. [reduced]. (40k). [large]. (126k). [original]. (884k).

  41. RedPaintbrush

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/RedPaintbrush.html
    26 Feb 2018: RedPaintbrush. 2005-06-26 06:40. [Image 17 of 24. [reduced]. (99k). [large]. (332k).

  42. RockslideDaisy

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/RockslideDaisy-r.html
    26 Feb 2018: RockslideDaisy. [Image 18 of 24. [reduced]. (54k). [large]. (144k). [original]. (933k).

  43. WhitePaintbrush

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/WhitePaintbrush-r.html
    26 Feb 2018: WhitePaintbrush. [Image 22 of 24. [reduced]. (46k). [large]. (128k). [original]. (958k).

  44. GoldenBanner

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/GoldenBanner-l.html
    26 Feb 2018: GoldenBanner. [Image 7 of 24. [reduced]. (27k). [large]. (82k). [original]. (897k).

  45. WildGeranium

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/WildGeranium-l.html
    26 Feb 2018: WildGeranium. [Image 23 of 24. [reduced]. (50k). [large]. (138k). [original]. (949k).

  46. WhitePaintbrush

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/WhitePaintbrush-l.html
    26 Feb 2018: WhitePaintbrush. [Image 22 of 24. [reduced]. (46k). [large]. (128k). [original]. (958k).

  47. Index of /examples/OPTIM/qcisb

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/qcisb/
    Index of /examples/OPTIM/qcisb. 2019-03-26 08:00. 239K. 2019-03-26 07:52. 142K. 2019-03-26 07:52. 56K. 2019-03-26 07:53. 58K. 2019-03-26 07:57. 78K. 2019-03-26 07:57. 77K. 2019-03-26 07:57. 76K. 2019-03-26 07:57. 78K. 2019-03-26 07:57. 77K.

  48. MariposaLily

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/MariposaLily.html
    26 Feb 2018: MariposaLily. [Image 12 of 24. [reduced]. (58k). [large]. (214k). [original]. (878k).

  49. Harebell

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Harebell-r.html
    26 Feb 2018: Harebell. [Image 8 of 24. [reduced]. (38k). [large]. (106k). [original]. (927k).

  50. Larkspur

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/Larkspur-r.html
    26 Feb 2018: Larkspur. [Image 10 of 24. [reduced]. (36k). [large]. (113k). [original]. (908k).

  51. AlpineAven

    https://www-wales.ch.cam.ac.uk/Telluride/Flowers/AlpineAven-r.html
    26 Feb 2018: AlpineAven. [previous]. [Image 1 of 24. [reduced]. (40k). [large]. (105k). [original].

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