User contributions for Carl McBride
A user with 9,509 edits. Account created on 15 February 2007.
21 July 2008
- 12:4812:48, 21 July 2008 diff hist +227 m Bell-Lavis model of water No edit summary
- 12:4412:44, 21 July 2008 diff hist +392 N Bell-Lavis model of water New page: {{Stub-water}} The '''Bell-Lavis model''' of water (Ref. 1) is effectively a triangular lattice version of the Mercedes-Benz model. ==References== #[http...
- 12:2912:29, 21 July 2008 diff hist +44 m List of empirical water models →B: Added internal link to Bell-Lavis model of water
18 July 2008
- 14:4414:44, 18 July 2008 diff hist +113 m Metropolis-Hastings Monte Carlo No edit summary current
- 13:0413:04, 18 July 2008 diff hist +290 Nm POLIR model of water New page: {{Stub-water}} ==References== #[http://dx.doi.org/10.1063/1.2948966 Parminder K. Mankoo and Thomas Keyes "POLIR: Polarizable, flexible, transferable water potential optimized for IR spectr...
- 13:0313:03, 18 July 2008 diff hist +12 m List of empirical water models →P: Added internal link to POLIR model of water
17 July 2008
- 15:3615:36, 17 July 2008 diff hist +207 Boltzmann distribution Suggested changed have been made. current
- 14:3314:33, 17 July 2008 diff hist +150 m Talk:Boltzmann distribution No edit summary current
16 July 2008
- 16:3216:32, 16 July 2008 diff hist +32 m Stockmayer potential Removed r subscript.
- 16:1316:13, 16 July 2008 diff hist −5 m Keesom potential Removed r subscript.
- 12:4612:46, 16 July 2008 diff hist +51 m Boltzmann distribution Added a see also section.
- 12:4512:45, 16 July 2008 diff hist +23 m Statistical mechanics →B: Added internal link to Boltzmann average
- 12:4412:44, 16 July 2008 diff hist +516 Nm Boltzmann average a first save. current
- 10:5310:53, 16 July 2008 diff hist +20 m Keesom potential Defined r better
- 10:2910:29, 16 July 2008 diff hist +483 m Keesom potential →References: Added classic reference.
15 July 2008
- 15:4815:48, 15 July 2008 diff hist +31 m Lennard-Jones model →Functional form: 'defined' r
- 15:3515:35, 15 July 2008 diff hist +708 m Keesom potential No edit summary
- 15:3015:30, 15 July 2008 diff hist +16 m Stockmayer potential Added some subscripts
- 15:2415:24, 15 July 2008 diff hist +317 Nm Keesom potential New page: {{Stub-general}} ==References== #[http://dx.doi.org/10.1080/00268979600100661 Richard J. Sadus "Molecular simulation of the vapour-liquid equilibria of pure fluids and binary mixtures cont...
- 15:1115:11, 15 July 2008 diff hist +23 m Idealised models →Charged or polar models: Added internal link to Keesom potential
- 14:4514:45, 15 July 2008 diff hist −11 m Realistic models Removed the heading 'atomic'
- 12:3112:31, 15 July 2008 diff hist +63 m Lennard-Jones model →Related models: Added more internal links to other models.
- 12:2212:22, 15 July 2008 diff hist +120 m Phase diagram of the Lennard-Jones model Added see also section
- 12:2112:21, 15 July 2008 diff hist +179 m Phase diagram of the Lennard-Jones model Added a reference to a metastable phse
- 12:1612:16, 15 July 2008 diff hist +242 Nm Titanium New page: {{stub-general}} ==References== #[http://dx.doi.org/10.1063/1.2953458 Byeongchan Lee and Geun Woo Lee "Local structure of liquid Ti: Ab initio molecular dynamics study", Journal of Chemica...
- 12:1512:15, 15 July 2008 diff hist +14 m Realistic models →Miscellaneous atomic and molecular liquids: Added an internal link to titanium
14 July 2008
- 11:2311:23, 14 July 2008 diff hist +119 m Conferences →August
11 July 2008
- 16:4216:42, 11 July 2008 diff hist +1,759 N GROMACS topology file for the TIP4P/Ice model New page: The following is a topology file for the TIP4P/ice model of water for use in the GROMACS computer simulation package. The best way to use this file is to click on the edit tab ...
- 16:3816:38, 11 July 2008 diff hist +721 N DL POLY FIELD file for the TIP4P/Ice model New page: The following is a FIELD file for the TIP4P/ice model of water for use in the DL_POLY computer simulation package. Water TIP4P/ice UNITS kcal molecular types 1 TIP4P/ice ...
- 16:3616:36, 11 July 2008 diff hist +101 m TIP4P/Ice model of water →Parameters: Added internal links
- 15:5115:51, 11 July 2008 diff hist +1,761 N GROMACS files for the TIP4P/2005 model New page: The following is a topology file for the TIP4P/2005 model of water for use in the GROMACS computer simulation package. The best way to use this file is to click on the edit tab...
- 15:4615:46, 11 July 2008 diff hist +44 m DL POLY FIELD file for the TIP4P/2005 model Added categories current
- 15:4415:44, 11 July 2008 diff hist +682 N DL POLY FIELD file for the TIP4P/2005 model New page: The following is a FIELD file for the TIP4P/2005 model of water for use in the DL_POLY computer simulation package. Water TIP4P/2005 UNITS kcal molecular types 1 TIP4P/...
- 15:4115:41, 11 July 2008 diff hist +103 TIP4P/2005 model of water Added internal links
- 13:0413:04, 11 July 2008 diff hist +1,810 m Path integral formulation Added some references.
- 12:3212:32, 11 July 2008 diff hist +247 m Mie potential →(14,7) model: Added a new reference
- 11:3111:31, 11 July 2008 diff hist 0 m Conferences Update w.r.t. date
- 11:3011:30, 11 July 2008 diff hist +201 m Conferences →2009
- 11:0311:03, 11 July 2008 diff hist 0 m EPEN/2 model of water Corrected spelling.
10 July 2008
- 18:0018:00, 10 July 2008 diff hist +146 m Talk:Wang-Landau method →Fulfil or Fulfill: Smiley current
- 17:4717:47, 10 July 2008 diff hist +206 m Talk:Wang-Landau method New section: Fulfil or Fulfill
- 17:3517:35, 10 July 2008 diff hist +596 Nm CI model of water New page: {{Stub-water}} The '''configuration interaction''' model for water (CI). ==References== #[http://dx.doi.org/10.1063/1.432402 O. Matsuoka, E. Clementi, and M. Yoshimine "CI study of the...
- 17:2617:26, 10 July 2008 diff hist +226 m EPEN/2 model of water →References: Added another reference.
- 17:2317:23, 10 July 2008 diff hist +529 N EPEN/2 model of water New page: {{Stub-water}} The '''EPEN/2''' ('''E'''mpirical '''P'''otential based on the interactions of '''E'''lactrons and '''N'''uclei) model for water. ==References== #[http://dx.doi.org/10.1...
- 17:1717:17, 10 July 2008 diff hist +373 Nm TIPS model of water New page: {{Stub-water}} ==References== #[http://dx.doi.org/10.1021/ja00392a016 William L. Jorgensen "Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential...
- 17:1517:15, 10 July 2008 diff hist +18 List of empirical water models No edit summary
- 17:1417:14, 10 July 2008 diff hist +9 m List of empirical water models →C
- 16:3816:38, 10 July 2008 diff hist +980 m Liquid phase density maximum Added TIP4P/2005 data
- 16:2516:25, 10 July 2008 diff hist +218 m Liquid phase density maximum →Water: save and continue...
- 15:4815:48, 10 July 2008 diff hist +598 N TIP5P-E model of water New page: {{Stub-water}} The '''TIP5P-E''' model is a version of the TIP5P model, re-parameterised for use with Ewald sums. The following table of parameters is taken from Ref. 1 Table I. :{...