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Calculating (Quantum) Rates and Instanton Search
https://www-wales.ch.cam.ac.uk/OPTIM.doc/node63.html7 Jun 2024: 300. 150. 20. ). fourth line:. T. '' if bimolecular rates should be calculated, see below (14.1 on page. ). -
Grphite-water.html
https://www-wales.ch.cam.ac.uk/~wales/CCD/WebGraphite-TIP3P/Graphite-water.html26 Feb 2018: 16. -728.94259. 17. -776.16235. 18. -830.62715. 19. -881.57840. 20. -935.99549. 21. -
Minimos para el Ca
https://www-wales.ch.cam.ac.uk/~wales/CCD/water_cation/Ca/Minimos_para_el_Ca.html26 Feb 2018: Ca. 2+. (H. 2. O). n. , n=1-20. Clusters. 1. N. ... 15. -1570.655233. 16. -1632.206347. 17. -1692.889462. 18. -1752.908213. 19. -1810.314062. 20. -
p1010021
https://www-wales.ch.cam.ac.uk/Telluride/SemenAndTetyana/7-Ingram_Lake.4.8.05/p1010021-r.html26 Feb 2018: [Image 20 of 58. [reduced]. (58k). [large]. (200k). [original]. (896k). -
Keywords
https://www-wales.ch.cam.ac.uk/OPTIM.doc/node4.html7 Jun 2024: ADM n: will cause the interatomic distance matrix to be printed every n cycles; the default for n is 20. -
dscn0055
https://www-wales.ch.cam.ac.uk/Telluride/David/3-Liberty_Bell.27.7.05/dscn0055.html26 Feb 2018: [Image 20 of 25. [reduced]. (26k). [large]. (107k). [original]. (538k). -
dscn0017
https://www-wales.ch.cam.ac.uk/Telluride/David/4-Cornet_Creek.28.7.05/dscn0017.html26 Feb 2018: 2005-06-28 04:42. [Image 20 of 37. [reduced]. (79k). [large]. (312k). [original]. -
OPTIM website
https://www-wales.ch.cam.ac.uk/examples/OPTIM/16 Nov 2023: Example for QUIP Carbon GAP 20 potential. ... C. 60. example for QUIP Carbon GAP 20 potential. -
https://www-wales.ch.cam.ac.uk/examples/OPTIM/VASP/single-ended/vaspru…
https://www-wales.ch.cam.ac.uk/examples/OPTIM/VASP/single-ended/vasprun.xml29 Jan 2020: 12555765 -0.37452829 -0.37184044 -0.12365416 1 68 71 66 65 6 8 23 38 7 16 43 3 4 11 18 2 20 26 10 36 35 51 73 -
dscn0167
https://www-wales.ch.cam.ac.uk/Telluride/David/7-Ingram_Lake.4.8.05/dscn0167-r.html26 Feb 2018: 2005-07-04 07:09. [Image 20 of 32. [reduced]. (32k). [large]. (104k). [original].
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