User contributions for Carl McBride
A user with 9,509 edits. Account created on 15 February 2007.
23 July 2008
- 11:4411:44, 23 July 2008 diff hist +393 m Hard spherocylinders: virial coefficients →References
- 11:4211:42, 23 July 2008 diff hist +345 m Hard spherocylinders →References
- 11:3211:32, 23 July 2008 diff hist +282 Nm SAFT-VRE New page: {{stub-general}} ==References== #[http://dx.doi.org/10.1080/00268970010018666 A. Gil-Villegas, A. Galindo, and G. Jackson "A statistical associating fluid theory for electrolyte solutions...
- 11:2911:29, 23 July 2008 diff hist +15 m Perturbation theory Added an internal link to SAFT-VRE
- 11:2811:28, 23 July 2008 diff hist +242 m Square well spherocylinders Added a reference
- 11:2111:21, 23 July 2008 diff hist +394 Nm Hard spherocylinders: virial coefficients A first save.
- 11:1911:19, 23 July 2008 diff hist +494 Nm Square well spherocylinders A first save.
- 11:1011:10, 23 July 2008 diff hist +33 m Idealised models →Piecewise continuous models: Added internal link to Square well spherocylinders
- 11:0711:07, 23 July 2008 diff hist +18 Hard spherocylinders Added some structure to the article.
- 11:0111:01, 23 July 2008 diff hist +70 m Virial coefficients of model systems No edit summary
- 10:5810:58, 23 July 2008 diff hist +530 Nm Phase diagram of the hard spherocylinder model New page: {{Stub-general}} Phase diagram of the hard spherocylinder model. ==References== #[http://dx.doi.org/10.1063/1.471343 S. C. McGrother and D. C. Williamson and G. ...
- 10:5710:57, 23 July 2008 diff hist +81 m Phase diagrams →Phase diagrams for idealised models
- 10:4010:40, 23 July 2008 diff hist +361 m 3-dimensional hard rods →Minimum distance: Added a little more content an a link to the source.
- 10:3810:38, 23 July 2008 diff hist +565 m Hard spherocylinders Added short section on the minimum distance.
- 10:3110:31, 23 July 2008 diff hist +3,524 N Source code for the minimum distance between two rods New page: {{Source}} The following is the FORTRAN source code for the calculation of the minimum distance between two rods in three dimensions. For full details see Ref. 1. C SUBROUTINE TO EVALUA...
- 09:4009:40, 23 July 2008 diff hist +26 m Idealised models →'Hard' models: Added a level 4 subsection.
- 09:3609:36, 23 July 2008 diff hist +1 m Idealised models →'Hard' models: Very slight re-ordering
22 July 2008
- 16:3916:39, 22 July 2008 diff hist +86 m Researchers and research groups →United States of America: Added Prof. Dale A. Huckaby
21 July 2008
- 15:3515:35, 21 July 2008 diff hist 0 m Conferences Update w.r.t. date
- 12:1712:17, 21 July 2008 diff hist +32 m Wigner D-matrix Added Quantum mechanics category
- 12:1712:17, 21 July 2008 diff hist +32 m Path integral formulation Added Quantum mechanics category
- 11:4811:48, 21 July 2008 diff hist +227 m Bell-Lavis model of water No edit summary
- 11:4411:44, 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...
- 11:2911:29, 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
- 13:4413:44, 18 July 2008 diff hist +113 m Metropolis-Hastings Monte Carlo No edit summary current
- 12:0412:04, 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...
- 12:0312:03, 18 July 2008 diff hist +12 m List of empirical water models →P: Added internal link to POLIR model of water
17 July 2008
- 14:3614:36, 17 July 2008 diff hist +207 Boltzmann distribution Suggested changed have been made. current
- 13:3313:33, 17 July 2008 diff hist +150 m Talk:Boltzmann distribution No edit summary current
16 July 2008
- 15:3215:32, 16 July 2008 diff hist +32 m Stockmayer potential Removed r subscript.
- 15:1315:13, 16 July 2008 diff hist −5 m Keesom potential Removed r subscript.
- 11:4611:46, 16 July 2008 diff hist +51 m Boltzmann distribution Added a see also section.
- 11:4511:45, 16 July 2008 diff hist +23 m Statistical mechanics →B: Added internal link to Boltzmann average
- 11:4411:44, 16 July 2008 diff hist +516 Nm Boltzmann average a first save. current
- 09:5309:53, 16 July 2008 diff hist +20 m Keesom potential Defined r better
- 09:2909:29, 16 July 2008 diff hist +483 m Keesom potential →References: Added classic reference.
15 July 2008
- 14:4814:48, 15 July 2008 diff hist +31 m Lennard-Jones model →Functional form: 'defined' r
- 14:3514:35, 15 July 2008 diff hist +708 m Keesom potential No edit summary
- 14:3014:30, 15 July 2008 diff hist +16 m Stockmayer potential Added some subscripts
- 14:2414:24, 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...
- 14:1114:11, 15 July 2008 diff hist +23 m Idealised models →Charged or polar models: Added internal link to Keesom potential
- 13:4513:45, 15 July 2008 diff hist −11 m Realistic models Removed the heading 'atomic'
- 11:3111:31, 15 July 2008 diff hist +63 m Lennard-Jones model →Related models: Added more internal links to other models.
- 11:2211:22, 15 July 2008 diff hist +120 m Phase diagram of the Lennard-Jones model Added see also section
- 11:2111:21, 15 July 2008 diff hist +179 m Phase diagram of the Lennard-Jones model Added a reference to a metastable phse
- 11:1611:16, 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...
- 11:1511:15, 15 July 2008 diff hist +14 m Realistic models →Miscellaneous atomic and molecular liquids: Added an internal link to titanium
14 July 2008
- 10:2310:23, 14 July 2008 diff hist +119 m Conferences →August
11 July 2008
- 15:4215:42, 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 ...
- 15:3815:38, 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 ...