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Introduction
https://www-wales.ch.cam.ac.uk/OPTIM.doc/node2.html3 Jul 2024: Next: The odata file Up: OPTIM User Guide Previous:. Introduction. The OPTIM program provides a wide variety of geometry optimisation tools for locating stationary points on potential energy surfaces and calculating reaction pathways. [1] The -
Grphite-water.html
https://www-wales.ch.cam.ac.uk/~wales/CCD/WebGraphite-TIP4P/Graphite-water.html26 Feb 2018: 16. -746.17784. 17. -788.69914. 18. -847.05006. 19. -893.67147. 20. -953.95025. 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. -
dscn0127
https://www-wales.ch.cam.ac.uk/Telluride/David/6-Imogene.31.7.05/dscn0127.html26 Feb 2018: 2005-07-01 03:36. [Image 20 of 38. [reduced]. (54k). [large]. (200k). [original]. -
p1010021
https://www-wales.ch.cam.ac.uk/Telluride/SemenAndTetyana/7-Ingram_Lake.4.8.05/p1010021.html26 Feb 2018: [Image 20 of 58. [reduced]. (58k). [large]. (200k). [original]. (896k). -
The data file
https://www-wales.ch.cam.ac.uk/GMIN.doc/node7.html3 Jul 2024: AMBER 20 requires an additional input file,. min.in. , which specifies keywords for the AMBER 12 potential. ... and. coords.inpcrd. respectively. For details, see the AMBER 20 manual. As with the AMBER 9 interface, cutoffs are smoothed, using the. -
dscn0127
https://www-wales.ch.cam.ac.uk/Telluride/David/6-Imogene.31.7.05/dscn0127-r.html26 Feb 2018: 2005-07-01 03:36. [Image 20 of 38. [reduced]. (54k). [large]. (200k). [original]. -
p1010021
https://www-wales.ch.cam.ac.uk/Telluride/SemenAndTetyana/7-Ingram_Lake.4.8.05/p1010021-l.html26 Feb 2018: [Image 20 of 58. [reduced]. (58k). [large]. (200k). [original]. (896k). -
dscn0167
https://www-wales.ch.cam.ac.uk/Telluride/David/7-Ingram_Lake.4.8.05/dscn0167.html26 Feb 2018: 2005-07-04 07:09. [Image 20 of 32. [reduced]. (32k). [large]. (104k). [original]. -
dscn0173
https://www-wales.ch.cam.ac.uk/Telluride/David/7-Ingram_Lake.4.8.05/dscn0173.html26 Feb 2018: 2005-07-04 07:20. [Image 26 of 32. [reduced]. (99k). [large]. (352k). [original].
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