User contributions for Briesta
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20 July 2009
- 15:0615:06, 20 July 2009 diff hist +3,259 N ClustersTIP3Pn18.xyz New page: 54 Energy of minimum 26038= -764.7098519106 O 4.1408560576 0.3260838984 0.0234957546 H 3.7255568941 -0.5245576811 -0.1185160295 H 3.958928789... current
- 15:0615:06, 20 July 2009 diff hist +3,081 N ClustersTIP3Pn17.xyz New page: 51 Energy of minimum 959= -713.6164780472 O 1.2485408204 -1.1633851266 3.6733689462 H 2.1353832450 -0.8076935003 3.7301652469 H 1.113387456... current
- 15:0515:05, 20 July 2009 diff hist +2,904 N ClustersTIP3Pn16.xyz New page: 48 Energy of minimum 14925= -664.1376558322 O 0.8882554970 -0.3081984321 -0.4997759952 H 1.1621912331 -0.2245757250 -1.4131205601 H 1.317400285... current
- 15:0415:04, 20 July 2009 diff hist +2,727 N ClustersTIP3Pn15.xyz New page: 45 Energy of minimum 3777= -619.4692655077 O 1.6201655410 1.2219214433 -0.7436362141 H 1.2276869209 2.0481067522 -0.4614834062 H 1.114970643... current
- 15:0315:03, 20 July 2009 diff hist +2,550 N ClustersTIP3Pn14.xyz New page: 42 Energy of minimum 1189= -572.6937130186 O -2.7790910494 -0.0928124442 -1.1565013678 H -2.5957941132 -0.9859820561 -0.8651560119 H -2.933219913... current
- 15:0315:03, 20 July 2009 diff hist +2,374 N ClustersTIP3Pn13.xyz New page: 39 Energy of minimum 426= -523.3990669197 O -2.4649177921 -2.3782781621 1.5861251163 H -2.6545943750 -2.9342166201 2.3418943031 H -3.217043489... current
- 15:0215:02, 20 July 2009 diff hist +59 m ClustersTIP3Pn12.xyz Added final hydrogen. current
- 14:5914:59, 20 July 2009 diff hist +2,138 N ClustersTIP3Pn12.xyz New page: 36 Energy of minimum 1156= -478.5136913988 O -2.2009802693 -0.3199346058 0.5073836666 H -3.1135601656 -0.1544540299 0.7441239267 H -1.729456990...
- 14:5914:59, 20 July 2009 diff hist +2,020 N ClustersTIP3Pn11.xyz New page: 33 Energy of minimum 924= -428.0691586165 O 1.3881740768 1.2057284492 -2.8680375214 H 1.3615392833 2.1155864012 -2.5719278565 H 1.464151206... current
- 14:5814:58, 20 July 2009 diff hist +1,842 N ClustersTIP3Pn10.xyz New page: 30 Energy of minimum 180= -386.7745982788 O 0.9509276702 3.7294606033 -0.3347364764 H 0.1785733622 4.0808989298 0.1081989188 H 1.579143840... current
- 14:5714:57, 20 July 2009 diff hist +61 N Category:Xyz file New page: The following is a list of molecular files in the xyz format. current
- 14:5614:56, 20 July 2009 diff hist +1,665 N ClustersTIP3Pn9.xyz New page: 27 Energy of minimum 294= -341.5396914640 O -3.7124870432 -0.0545522391 2.2815909651 H -2.9062370128 0.1588546602 2.7513251695 H -4.401417375... current
- 14:5614:56, 20 July 2009 diff hist +1,488 N ClustersTIP3Pn8.xyz New page: 24 Energy of minimum 250= -295.6029810223 O 1.1809521861 -0.1783171033 4.2224861588 H 0.7662557991 -0.7669342838 3.5917813465 H 1.472341607... current
- 14:5514:55, 20 July 2009 diff hist +1,311 N ClustersTIP3Pn7.xyz New page: 21 Energy of minimum 12= -242.3320068566 O 0.4397860785 -0.1362439165 -5.9195829893 H 0.2555521975 0.6582530277 -5.4185197980 H 0.482542234... current
- 14:5214:52, 20 July 2009 diff hist −159 m ClustersTIP3Pn6.xyz Now without vi numbering. current
- 14:5114:51, 20 July 2009 diff hist +1,294 N ClustersTIP3Pn6.xyz New page: 1 18 2 Energy of minimum 0= -199.9530523652 3 O -1.1114448151 0.9120705049 3.2629915614 4 H -1.4065837885 1.4873685056 2....
- 14:4414:44, 20 July 2009 diff hist +1,080 Water clusters: TIP3P model tmp save
14 July 2009
- 14:4914:49, 14 July 2009 diff hist +24 m TIP3P model of water Changed reference to Cite format
- 14:4414:44, 14 July 2009 diff hist +8 m ClustersTIP3Pn2.xyz Slight tidy
- 14:4214:42, 14 July 2009 diff hist 0 m ClustersTIP3Pn2.xyz Clusters tip3p 2 moved to ClustersTIP3Pn2.xyz: Changed to a better name