User contributions for Carl McBride

13:0313:03, 2 April 2007 diff hist +19‎ Biographies ‎No edit summary
13:0213:02, 2 April 2007 diff hist +104‎ Biographies ‎No edit summary
12:5312:53, 2 April 2007 diff hist +3‎ Computational implementation of integral equations ‎No edit summary
12:5312:53, 2 April 2007 diff hist +184‎ Computational implementation of integral equations ‎No edit summary
12:5012:50, 2 April 2007 diff hist +187‎ Computational implementation of integral equations ‎No edit summary
12:4712:47, 2 April 2007 diff hist +230‎ N Computational implementation of integral equations ‎ New page: ==References== #[http://dx.dio.org/10.1080/00268977900102861 M. J. Gillan "A new method of solving the liquid structure integral equations" Molecular Physics '''38''' pp. 1781-1794 (1979)]...
12:2112:21, 2 April 2007 diff hist +87‎ Integral equations ‎No edit summary
12:1212:12, 2 April 2007 diff hist +142‎ SklogWiki style guide ‎No edit summary
12:1012:10, 2 April 2007 diff hist +187‎ N Short essays section ‎ New page: The short essays section is, as its name suggests, a section in which people can contribute short essays. The essays in this section will be protected, thus denying further editing.
12:0912:09, 2 April 2007 diff hist +26‎ Help:Contents ‎No edit summary
12:0812:08, 2 April 2007 diff hist +18‎ Main Page ‎No edit summary
12:0712:07, 2 April 2007 diff hist +115‎ Researchers and research groups ‎ →‎United Kingdom
11:5511:55, 2 April 2007 diff hist +80‎ Researchers and research groups ‎ →‎United Kingdom
11:5011:50, 2 April 2007 diff hist +93‎ Researchers and research groups ‎ →‎United States of America
11:4611:46, 2 April 2007 diff hist +168‎ Researchers and research groups ‎No edit summary
11:3911:39, 2 April 2007 diff hist +57‎ Researchers and research groups ‎ →‎Italy
11:3411:34, 2 April 2007 diff hist +97‎ Researchers and research groups ‎ →‎United States of America
11:2711:27, 2 April 2007 diff hist +99‎ Researchers and research groups ‎ →‎Canada
11:2211:22, 2 April 2007 diff hist +129‎ Researchers and research groups ‎ →‎United Kingdom
11:1711:17, 2 April 2007 diff hist −129‎ Researchers and research groups ‎ →‎United Kingdom
11:0911:09, 2 April 2007 diff hist +79‎ Main Page ‎No edit summary
11:0711:07, 2 April 2007 diff hist +13‎ Complex fluids ‎No edit summary
11:0611:06, 2 April 2007 diff hist +27‎ Main Page ‎No edit summary
11:0411:04, 2 April 2007 diff hist +13‎ Liquid crystals ‎No edit summary
11:0311:03, 2 April 2007 diff hist +48‎ Complex fluids ‎No edit summary
11:0111:01, 2 April 2007 diff hist +22‎ Biographies ‎No edit summary
10:5910:59, 2 April 2007 diff hist 0‎ m Berni J. Alder ‎ Berni J, Alder moved to Berni J. Alder
10:5810:58, 2 April 2007 diff hist +613‎ N Berni J. Alder ‎ New page: Winner of the Boltzmann Medal "For inventing the technique of molecular dynamics simulation and showing that with such "computer experiments" important discoveries in the field of ...
10:5610:56, 2 April 2007 diff hist +20‎ Biographies ‎No edit summary
10:5510:55, 2 April 2007 diff hist +22‎ Liquid crystals ‎No edit summary
10:5410:54, 2 April 2007 diff hist +21‎ N Proteins ‎ New page: *Villin headpiece
10:5310:53, 2 April 2007 diff hist +144‎ Statistical mechanics ‎No edit summary

15:5115:51, 30 March 2007 diff hist −117‎ Main Page ‎No edit summary
15:4615:46, 30 March 2007 diff hist +15‎ Non-equilibrium thermodynamics ‎No edit summary
15:4515:45, 30 March 2007 diff hist +221‎ Evans-Searles transient fluctuation theorem ‎No edit summary
15:4215:42, 30 March 2007 diff hist +25‎ Computer simulation techniques ‎No edit summary
15:2915:29, 30 March 2007 diff hist +45‎ Lars Onsager ‎No edit summary
15:2815:28, 30 March 2007 diff hist +34‎ Non-equilibrium thermodynamics ‎No edit summary
15:2615:26, 30 March 2007 diff hist +14‎ N Transport properties ‎ New page: *Viscosity
15:2515:25, 30 March 2007 diff hist +26‎ Non-equilibrium thermodynamics ‎No edit summary
14:4914:49, 30 March 2007 diff hist −2‎ Main Page ‎No edit summary
14:4814:48, 30 March 2007 diff hist −367‎ Researchers and research groups ‎No edit summary
14:4814:48, 30 March 2007 diff hist +370‎ Main Page ‎No edit summary
14:4014:40, 30 March 2007 diff hist +205‎ Wertheim's second order thermodynamic perturbation theory (TPT2) ‎ →‎References
14:2814:28, 30 March 2007 diff hist +201‎ Wertheim's second order thermodynamic perturbation theory (TPT2) ‎No edit summary
14:1014:10, 30 March 2007 diff hist −4‎ Ben-Naim models of water ‎No edit summary
14:0714:07, 30 March 2007 diff hist +22‎ Vega equation of state for hard ellipsoids ‎No edit summary
13:4613:46, 30 March 2007 diff hist 0‎ m Sir John Edward Lennard-Jones KBE, FRS ‎ Protected "Sir John Edward Lennard-Jones KBE, FRS": This material is copyright. [edit=sysop:move=sysop]
13:3513:35, 30 March 2007 diff hist +34‎ Sir John Edward Lennard-Jones KBE, FRS ‎No edit summary
13:3313:33, 30 March 2007 diff hist +87‎ Sir John Edward Lennard-Jones KBE, FRS ‎No edit summary
13:2913:29, 30 March 2007 diff hist +6‎ Sir John Edward Lennard-Jones KBE, FRS ‎No edit summary
13:2813:28, 30 March 2007 diff hist +1,732‎ Sir John Edward Lennard-Jones KBE, FRS ‎No edit summary
13:2213:22, 30 March 2007 diff hist +146‎ Wertheim's first order thermodynamic perturbation theory (TPT1) ‎No edit summary
13:2013:20, 30 March 2007 diff hist +352‎ Wertheim's first order thermodynamic perturbation theory (TPT1) ‎No edit summary
13:1613:16, 30 March 2007 diff hist +517‎ Wertheim's first order thermodynamic perturbation theory (TPT1) ‎No edit summary
13:0213:02, 30 March 2007 diff hist +63‎ GROMOS ‎No edit summary
13:0113:01, 30 March 2007 diff hist 0‎ m Flexible molecules ‎ Flexible Molecules moved to Flexible molecules
13:0013:00, 30 March 2007 diff hist 0‎ Models ‎ →‎'Soft' models
12:5912:59, 30 March 2007 diff hist +35‎ Entropy ‎No edit summary
12:5812:58, 30 March 2007 diff hist −17‎ 9-3 Lennard-Jones potential ‎No edit summary
12:5412:54, 30 March 2007 diff hist +62‎ Quantum statistics ‎No edit summary
12:5312:53, 30 March 2007 diff hist +18‎ Classical mechanics ‎No edit summary
12:4312:43, 30 March 2007 diff hist +33‎ Main Page ‎No edit summary
12:4212:42, 30 March 2007 diff hist −6‎ Main Page ‎No edit summary
12:4212:42, 30 March 2007 diff hist +24‎ Main Page ‎No edit summary
12:4112:41, 30 March 2007 diff hist −11‎ Main Page ‎No edit summary
12:4012:40, 30 March 2007 diff hist +44‎ Main Page ‎No edit summary
12:3612:36, 30 March 2007 diff hist −1‎ Main Page ‎No edit summary
12:3512:35, 30 March 2007 diff hist 0‎ Main Page ‎No edit summary
12:3412:34, 30 March 2007 diff hist +41‎ Classical molecular dynamics ‎No edit summary
12:3212:32, 30 March 2007 diff hist +31‎ Classical molecular dynamics ‎No edit summary
12:3012:30, 30 March 2007 diff hist +25‎ Electrostatics ‎No edit summary
12:2912:29, 30 March 2007 diff hist +89‎ N Electrostatics ‎ New page: *Ewald sum *Reaction field *Smoothed particle mesh *Dynamical shell model
12:2812:28, 30 March 2007 diff hist +5‎ Computer simulation techniques ‎No edit summary
12:2312:23, 30 March 2007 diff hist +101‎ Computer simulation techniques ‎No edit summary
12:2312:23, 30 March 2007 diff hist −101‎ Main Page ‎No edit summary
12:2312:23, 30 March 2007 diff hist +29‎ N Computer simulation techniques ‎ New page: *Models *Force fields
12:2312:23, 30 March 2007 diff hist +6‎ Main Page ‎No edit summary
12:2112:21, 30 March 2007 diff hist +67‎ Models ‎ →‎Metals
12:1812:18, 30 March 2007 diff hist +31‎ Models ‎No edit summary
12:1612:16, 30 March 2007 diff hist +44‎ N Barostats ‎ New page: *Hoover barostat *Berendsen barostat
12:1512:15, 30 March 2007 diff hist +54‎ N Thermostats ‎ New page: *Nosé-Hoover thermostat *Berendsen thermostat
12:1112:11, 30 March 2007 diff hist +32‎ Classical molecular dynamics ‎No edit summary
12:0612:06, 30 March 2007 diff hist +110‎ Conferences ‎No edit summary
11:5511:55, 30 March 2007 diff hist +116‎ Researchers and research groups ‎ →‎Canada

19:4219:42, 29 March 2007 diff hist +19‎ N Sir John Edward Lennard-Jones KBE, FRS ‎ New page: category:person
19:4219:42, 29 March 2007 diff hist +1‎ Lennard-Jones model ‎ →‎Lennard-Jones potential
19:4119:41, 29 March 2007 diff hist +90‎ Lennard-Jones model ‎ →‎Lennard-Jones potential
19:3719:37, 29 March 2007 diff hist −2‎ m Vega equation of state for hard ellipsoids ‎No edit summary
19:3619:36, 29 March 2007 diff hist +4‎ Vega equation of state for hard ellipsoids ‎No edit summary
19:3519:35, 29 March 2007 diff hist 0‎ m Vega equation of state for hard ellipsoids ‎ Vega moved to Vega EOS for hard ellipsoids
19:3519:35, 29 March 2007 diff hist +31‎ Hard ellipsoid equation of state ‎No edit summary
19:3319:33, 29 March 2007 diff hist +16‎ Vega equation of state for hard ellipsoids ‎No edit summary
19:3219:32, 29 March 2007 diff hist +61‎ Vega equation of state for hard ellipsoids ‎No edit summary
19:2819:28, 29 March 2007 diff hist +34‎ Virial coefficients of model systems ‎No edit summary
19:2519:25, 29 March 2007 diff hist +1,616‎ N Vega equation of state for hard ellipsoids ‎ New page: The '''Vega''' equation of state for hard (biaxial) ellipsoids is given by: :<math> Z = 1+B_2^*y + B_3^*y^2 + B_4^*y^3 + B_5^*y^4 + \frac{B_2}{4} \left( \frac{1...
19:1119:11, 29 March 2007 diff hist +47‎ Poly(ethylene oxide) ‎No edit summary
19:0919:09, 29 March 2007 diff hist +103‎ Nicolas Léonard Sadi Carnot ‎No edit summary
18:0218:02, 29 March 2007 diff hist +6‎ Cavity correlation function ‎No edit summary
17:5317:53, 29 March 2007 diff hist +95‎ Gaussian overlap model ‎No edit summary
17:5017:50, 29 March 2007 diff hist +193‎ Gaussian overlap model ‎No edit summary
17:4617:46, 29 March 2007 diff hist +22‎ Models ‎ →‎'Soft' models
17:4317:43, 29 March 2007 diff hist +251‎ Gaussian overlap model ‎No edit summary
17:3617:36, 29 March 2007 diff hist +619‎ N History of liquid crystals ‎ New page: ==References== #[http://dx.doi.org/10.1080/15421407308083312 H. Kelker "History of Liquid Crystals", Molecular Crystals and Liquid Crystals '''21''' pp. 1-48 (1973)] #[http://dx.doi.org/10...
17:2717:27, 29 March 2007 diff hist +6‎ Boltzmann distribution ‎No edit summary
17:2617:26, 29 March 2007 diff hist +6‎ Hyper-netted chain ‎No edit summary
17:2417:24, 29 March 2007 diff hist +15‎ Main Page ‎No edit summary
16:5616:56, 29 March 2007 diff hist +112‎ Researchers and research groups ‎No edit summary
16:2616:26, 29 March 2007 diff hist +44‎ Biographies ‎No edit summary
16:2416:24, 29 March 2007 diff hist +17‎ Biographies ‎No edit summary
16:2316:23, 29 March 2007 diff hist +14‎ Building up an hexagonal close packing structure ‎No edit summary
16:2116:21, 29 March 2007 diff hist +193‎ Johannes Diderik van der Waals ‎No edit summary
16:1616:16, 29 March 2007 diff hist +304‎ Lars Onsager ‎No edit summary
16:1216:12, 29 March 2007 diff hist +63‎ Sir Ralph Howard Fowler FRS ‎No edit summary
16:1016:10, 29 March 2007 diff hist +39‎ MMFF94 force field ‎No edit summary
16:0816:08, 29 March 2007 diff hist +142‎ N Time step ‎ New page: The time-step is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds.
15:1215:12, 29 March 2007 diff hist +532‎ N GC-SAFT ‎ New page: The '''group contribution statistical associating fluid theory''' (GC-SAFT) was developed by Sofiane Tamouza, J. -Philippe Passarello, Pascal Tobaly and J. -Charles de Hemptinne (Ref. 1). ...
15:0815:08, 29 March 2007 diff hist +13‎ Perturbation theory ‎No edit summary
15:0615:06, 29 March 2007 diff hist +391‎ PC-SAFT ‎No edit summary
14:5914:59, 29 March 2007 diff hist +303‎ N PC-SAFT ‎ New page: ==References== #[http://dx.doi.org/10.1016/S0378-3812(00)00302-2 Joachim Gross and Gabriele Sadowski "Application of perturbation theory to a hard-chain reference fluid: an equation of st...
14:5514:55, 29 March 2007 diff hist +40‎ SAFT (statistical associating fluid theory) ‎No edit summary
14:5414:54, 29 March 2007 diff hist +573‎ N SAFT-VR ‎ New page: The '''variable range statistical associating fluid theory''' (VR-SAFT) was developed by Alejandro Gil-Villegas, Amparo Galindo, Paul J. Whitehead, Stuart J. Mills, George Jackson and An...
14:4814:48, 29 March 2007 diff hist +17‎ Branched hard sphere chains ‎No edit summary
14:4714:47, 29 March 2007 diff hist +16‎ Branched hard sphere chains ‎No edit summary
14:4714:47, 29 March 2007 diff hist +73‎ Branched hard sphere chains ‎No edit summary
14:4214:42, 29 March 2007 diff hist +26‎ Perturbation theory ‎No edit summary
14:4214:42, 29 March 2007 diff hist +391‎ SAFT (statistical associating fluid theory) ‎No edit summary
14:3414:34, 29 March 2007 diff hist +29‎ Structure factor ‎No edit summary
14:2514:25, 29 March 2007 diff hist +317‎ Hard ellipsoid model ‎No edit summary
14:1414:14, 29 March 2007 diff hist +264‎ N Gaussian overlap model: virial coefficients ‎ New page: ==References== #[http://dx.doi.org/10.1142/S0129183199000279 SSU-LI HUANG and VENKAT R. BHETHANABOTLA "VIRIAL COEFFICIENTS FOR THE HARD GAUSSIAN OVERLAP MODEL" International Journal of Mo...
14:1214:12, 29 March 2007 diff hist +46‎ Virial coefficients of model systems ‎No edit summary
14:1214:12, 29 March 2007 diff hist +28‎ Virial coefficients of model systems ‎No edit summary
14:0714:07, 29 March 2007 diff hist +145‎ Gaussian overlap model ‎No edit summary
14:0214:02, 29 March 2007 diff hist +66‎ John G. Kirkwood ‎No edit summary
13:5513:55, 29 March 2007 diff hist +11‎ N Category:Glass ‎ New page: Glasses current
13:5413:54, 29 March 2007 diff hist +22‎ Tarazona's weighted density approximation ‎No edit summary
13:5313:53, 29 March 2007 diff hist +29‎ N Category:Density-functional theory ‎ New page: Density-functional theory current
13:5313:53, 29 March 2007 diff hist 0‎ CASTEP ‎No edit summary
13:2313:23, 29 March 2007 diff hist −16‎ Researchers and research groups ‎ →‎Add SklogWiki to your web page
13:0013:00, 29 March 2007 diff hist +5‎ m SklogWiki:Site support ‎No edit summary
12:5912:59, 29 March 2007 diff hist +383‎ Researchers and research groups ‎No edit summary
12:5312:53, 29 March 2007 diff hist +31‎ SklogWiki:Site support ‎No edit summary
12:4912:49, 29 March 2007 diff hist +330‎ SklogWiki:Site support ‎No edit summary
12:1012:10, 29 March 2007 diff hist +54‎ Researchers and research groups ‎ →‎France
12:0912:09, 29 March 2007 diff hist +47‎ Researchers and research groups ‎No edit summary
11:3411:34, 29 March 2007 diff hist +14‎ Complex fluids ‎No edit summary
11:1911:19, 29 March 2007 diff hist +32‎ N Entropy ‎ New page: See also: Entropy of a glass
11:1511:15, 29 March 2007 diff hist +170‎ N Entropy of a glass ‎ New page: ==References== #[http://dx.doi.org/10.1080/00268979300102911 Robin J. Speedy "The entropy of a glass", Molecular Physics '''80''' pp. 1105-1120 (1993)] category:glass
11:1211:12, 29 March 2007 diff hist +23‎ N Glasses ‎ New page: *Entropy of a glass

17:0417:04, 28 March 2007 diff hist −8‎ m Computing the Helmholtz energy function of solids ‎ →‎References: month removed

19:1819:18, 26 March 2007 diff hist +14‎ SklogWiki:About ‎No edit summary
16:2616:26, 26 March 2007 diff hist −4‎ SklogWiki:About ‎No edit summary
15:4615:46, 26 March 2007 diff hist +1‎ SklogWiki:About ‎No edit summary
15:4615:46, 26 March 2007 diff hist +16‎ SklogWiki:About ‎No edit summary
15:3215:32, 26 March 2007 diff hist +195‎ SklogWiki:About ‎No edit summary
15:3215:32, 26 March 2007 diff hist +144‎ N File:Zentralfriedhof.jpg ‎ Grave of Ludwig Boltzmann, physicist, Zentralfriedhof (Central Cemetery), Vienna, Austria. Photograph taken by 'Daderot of Wikipedia', May 2005. current
14:4314:43, 26 March 2007 diff hist +23‎ N Category:Classical mechanics ‎ New page: classical mechanics current
14:4214:42, 26 March 2007 diff hist +527‎ N Virial theorem ‎ New page: The '''virial theorem''' is a feature of systems with central forces. :<math>\overline{T}= - \frac{1}{2} \overline{\sum_i \frac{dU}{dr}\cdot r_i}</math> where <math>\overline{T}</math> i...
14:3414:34, 26 March 2007 diff hist +19‎ N Classical mechanics ‎ New page: *Virial theorem
14:3414:34, 26 March 2007 diff hist +25‎ Main Page ‎No edit summary
11:3811:38, 26 March 2007 diff hist +33‎ Models ‎ →‎'Soft' models
11:3411:34, 26 March 2007 diff hist +148‎ SklogWiki:About ‎No edit summary
11:2811:28, 26 March 2007 diff hist +148‎ Conferences ‎No edit summary
11:2611:26, 26 March 2007 diff hist +96‎ Conferences ‎No edit summary
11:2311:23, 26 March 2007 diff hist +98‎ Researchers and research groups ‎ →‎United States of America

19:0619:06, 22 March 2007 diff hist +243‎ SklogWiki:Site support ‎No edit summary
18:2218:22, 22 March 2007 diff hist +119‎ Main Page ‎No edit summary
17:2417:24, 22 March 2007 diff hist +14‎ Lennard-Jones model ‎ →‎Argon
17:0417:04, 22 March 2007 diff hist +74‎ Researchers and research groups ‎ →‎Canada
16:5616:56, 22 March 2007 diff hist +44‎ Mean spherical approximation ‎No edit summary
16:5516:55, 22 March 2007 diff hist +226‎ Mean spherical approximation ‎ →‎References
16:5516:55, 22 March 2007 diff hist +273‎ N Thermodynamic consistency ‎ New page: ==References== #[http://dx.doi.org/10.1063/1.2712181 Andrés Santos "Thermodynamic consistency between the energy and virial routes in the mean spherical approximation for soft potentials"...
16:0716:07, 22 March 2007 diff hist +122‎ Fused hard sphere chains ‎No edit summary
16:0716:07, 22 March 2007 diff hist 0‎ N File:FHSC linear.png ‎No edit summary
16:0116:01, 22 March 2007 diff hist +65‎ Tangent linear hard sphere chains ‎No edit summary
15:5915:59, 22 March 2007 diff hist 0‎ N File:LTHS.png ‎No edit summary
15:5815:58, 22 March 2007 diff hist +31‎ Tangent linear hard sphere chains ‎No edit summary
15:4615:46, 22 March 2007 diff hist +22‎ Main Page ‎No edit summary
15:4515:45, 22 March 2007 diff hist +22‎ Complex fluids ‎No edit summary
15:4315:43, 22 March 2007 diff hist +101‎ Researchers and research groups ‎No edit summary
15:3815:38, 22 March 2007 diff hist +146‎ N GROMOS ‎ New page: [http://www.igc.ethz.ch/gromos/ GROMOS] is a general-purpose molecular dynamics computer simulation package for the study of biomolecular systems.
15:3615:36, 22 March 2007 diff hist +13‎ Materials modelling and computer simulation codes ‎ →‎G
15:1315:13, 22 March 2007 diff hist −1‎ Lennard-Jones model ‎ →‎Argon
14:5414:54, 22 March 2007 diff hist +83‎ Researchers and research groups ‎ →‎United States of America
14:5314:53, 22 March 2007 diff hist +805‎ N OPLS force field ‎ New page: The '''optimized potentials for liquid simulations''' (OPLS) force-filed was developed for the simulation of proteins and other organic liquids. ==References== #[http://dx.doi.org/10.1021...
14:3514:35, 22 March 2007 diff hist +25‎ Force fields ‎No edit summary
14:3414:34, 22 March 2007 diff hist +10‎ Force fields ‎No edit summary
14:3314:33, 22 March 2007 diff hist +513‎ N CVFF force field ‎ New page: The '''consistent valence force-field''' (CVFF) was parameterised with a view to simulating protein structures. ==References== #[http://dx.doi.org/10.1002/prot.340040106 Pnina Dauber-Osgu...
14:1514:15, 22 March 2007 diff hist +127‎ Lennard-Jones model ‎ →‎Argon
14:1214:12, 22 March 2007 diff hist 0‎ N File:Lennard-Jones.png ‎No edit summary
14:1214:12, 22 March 2007 diff hist +35‎ Lennard-Jones model ‎ →‎Argon
14:0614:06, 22 March 2007 diff hist +18‎ Lennard-Jones model ‎ →‎Argon
14:0514:05, 22 March 2007 diff hist +2‎ Lennard-Jones model ‎ →‎Argon
13:5313:53, 22 March 2007 diff hist +10‎ Force fields ‎No edit summary
13:5113:51, 22 March 2007 diff hist +63‎ Lennard-Jones model ‎ →‎Argon
13:4913:49, 22 March 2007 diff hist +53‎ Lennard-Jones model ‎No edit summary
13:3913:39, 22 March 2007 diff hist −13‎ Branched hard sphere chains ‎No edit summary
12:5312:53, 22 March 2007 diff hist +185‎ Hard spherocylinders ‎No edit summary
12:4412:44, 22 March 2007 diff hist +23‎ N Category:Perturbation theory ‎ New page: Perturbation theory current
12:4412:44, 22 March 2007 diff hist +318‎ Branched hard sphere chains ‎No edit summary
12:4112:41, 22 March 2007 diff hist +320‎ Branched hard sphere chains ‎No edit summary
12:1112:11, 22 March 2007 diff hist +139‎ Ramp model ‎No edit summary
12:0512:05, 22 March 2007 diff hist 0‎ N File:Ramp potential.png ‎No edit summary
12:0412:04, 22 March 2007 diff hist +68‎ Ramp model ‎No edit summary
11:5211:52, 22 March 2007 diff hist +6‎ Lennard-Jones model ‎No edit summary

19:3319:33, 21 March 2007 diff hist +518‎ N Restricted primitive model ‎ New page: ==References== #[http://dx.doi.org/10.1063/1.1576374 Carlos Vega, José L. F. Abascal, Carl McBride and Fernando Bresme "The fluid–solid equilibrium for a charged hard sphere model ...
19:2819:28, 21 March 2007 diff hist +51‎ Models ‎No edit summary
19:2019:20, 21 March 2007 diff hist −6‎ Tarazona's weighted density approximation ‎No edit summary
19:1919:19, 21 March 2007 diff hist +417‎ N Tarazona's weighted density approximation ‎ New page: Pedro Tarazona (Universidad Autónoma de Madrid) ==References== #[http://dx.doi.org/10.1080/00268978400101071 P. Tarazona "A density functional theory of melting", Molecular Physics '''52...
18:5518:55, 21 March 2007 diff hist 0‎ m Density-functional theory ‎ Density functional theory moved to Density-functional theory
18:5518:55, 21 March 2007 diff hist 0‎ Main Page ‎No edit summary
18:3818:38, 21 March 2007 diff hist +186‎ N Ewald sum ‎ New page: ==References== #[http://dx.doi.org/10.1002/andp.19213690304 Paul Ewald "Die Berechnung Optischer und Electrostatischer Gitterpotentiale", Annalen der Physik '''64''' pp. 253-287 (1921)]
18:3118:31, 21 March 2007 diff hist +35‎ N Density-functional theory ‎ New page: *Classical DFT *Quantum DFT
17:1117:11, 21 March 2007 diff hist +7‎ Hard sphere model ‎ →‎Interaction Potential
17:0317:03, 21 March 2007 diff hist 0‎ Martynov Sarkisov ‎No edit summary
17:0117:01, 21 March 2007 diff hist +13‎ Carnahan-Starling equation of state ‎No edit summary
16:5616:56, 21 March 2007 diff hist −1‎ Category:Molecular dynamics ‎No edit summary current
16:5616:56, 21 March 2007 diff hist +87‎ N Category:Molecular dynamics ‎ New page: This category lists pages relationg to the Molecular dynamics simulation technique.
16:5416:54, 21 March 2007 diff hist +28‎ N Category:Paradox ‎ New page: This is a list of paradoxes. current
16:5416:54, 21 March 2007 diff hist +1‎ CHARMM ‎No edit summary
16:5316:53, 21 March 2007 diff hist +1‎ AMBER -- Assisted Model Building with Energy Refinement ‎No edit summary
16:5316:53, 21 March 2007 diff hist +44‎ N Category:Hard sphere ‎ New page: Pages relating to the hard sphere model. current
16:5116:51, 21 March 2007 diff hist +54‎ NvdE model of water ‎No edit summary
16:4216:42, 21 March 2007 diff hist +11‎ Biographies ‎No edit summary
16:3916:39, 21 March 2007 diff hist +6‎ Polyamorphic systems ‎No edit summary
16:3916:39, 21 March 2007 diff hist 0‎ m Ramp model ‎ Ramp moved to Ramp model
16:3916:39, 21 March 2007 diff hist +7‎ Models ‎ →‎Piecewise continuous models
16:3816:38, 21 March 2007 diff hist +6‎ Dirac delta distribution ‎No edit summary
16:3716:37, 21 March 2007 diff hist +188‎ N Heaviside step distribution ‎ New page: The '''Heaviside step distribution''' is defined by :<math> H(x) = \left\{ \begin{array}{ll} 0 & x < 0 \\ \frac{1}{2} & x=0\\ 1 & x > 0 \end{array} \right. </math>
16:3316:33, 21 March 2007 diff hist +44‎ Dirac delta distribution ‎No edit summary
16:3116:31, 21 March 2007 diff hist +5‎ Mathematics ‎No edit summary
16:3116:31, 21 March 2007 diff hist +247‎ N Dirac delta distribution ‎ New page: The Dirac delta distribution <math>\delta(x)</math>, is the derivative of the Heaviside step distribution, :<math>\frac{d}{dx}[H(x)] = \delta(x)</math> It has the property :<math>\...
15:2915:29, 21 March 2007 diff hist +6‎ Verlet modified ‎No edit summary
15:2815:28, 21 March 2007 diff hist 0‎ Verlet modified ‎No edit summary
15:2715:27, 21 March 2007 diff hist +6‎ Verlet modified ‎No edit summary
15:2715:27, 21 March 2007 diff hist +20‎ Carnahan-Starling equation of state ‎No edit summary
15:2615:26, 21 March 2007 diff hist +20‎ Martynov Sarkisov ‎No edit summary
15:2515:25, 21 March 2007 diff hist +9‎ Exact solution of the Percus Yevick integral equation for hard spheres ‎No edit summary
15:2415:24, 21 March 2007 diff hist +20‎ Hard sphere: virial coefficients ‎No edit summary
15:2415:24, 21 March 2007 diff hist +20‎ Widom-Rowlinson model ‎No edit summary
15:2315:23, 21 March 2007 diff hist +20‎ 1-dimensional hard rods ‎No edit summary
15:2215:22, 21 March 2007 diff hist +20‎ Yukawa closure ‎No edit summary
15:2215:22, 21 March 2007 diff hist 0‎ Carnahan-Starling equation of state ‎No edit summary
15:2115:21, 21 March 2007 diff hist +20‎ Models ‎No edit summary
15:2015:20, 21 March 2007 diff hist 0‎ m Talk:Hard sphere model ‎ Talk:Hard sphere moved to Talk:Hard sphere model current
15:2015:20, 21 March 2007 diff hist 0‎ m Hard sphere model ‎ Hard sphere moved to Hard sphere model
15:1915:19, 21 March 2007 diff hist +26‎ Hard sphere: virial coefficients ‎No edit summary
15:1815:18, 21 March 2007 diff hist +108‎ Talk:Hard sphere: virial coefficients ‎No edit summary current
15:1715:17, 21 March 2007 diff hist +21‎ Duh Haymet ‎No edit summary
15:1515:15, 21 March 2007 diff hist +22‎ Mean spherical approximation ‎No edit summary
15:1415:14, 21 March 2007 diff hist +22‎ Soft-core mean spherical approximation ‎No edit summary
15:1315:13, 21 March 2007 diff hist +24‎ Martynov Vompe ‎No edit summary
14:0914:09, 21 March 2007 diff hist −1‎ Martynov Vompe ‎No edit summary
14:0814:08, 21 March 2007 diff hist +22‎ Intermolecular Interactions ‎No edit summary
14:0414:04, 21 March 2007 diff hist +38‎ Hard sphere model ‎ →‎Equations of state
14:0214:02, 21 March 2007 diff hist +25‎ Hard sphere model ‎ →‎Data
13:5913:59, 21 March 2007 diff hist 0‎ Semi-grand ensembles ‎ →‎Fixed pressure and temperature
13:5913:59, 21 March 2007 diff hist 0‎ Semi-grand ensembles ‎ →‎Fixed pressure and temperature
13:5813:58, 21 March 2007 diff hist +38‎ N SklogWiki:Policy ‎ New page: The policy is not yet set in stone.... current
13:4613:46, 21 March 2007 diff hist +26‎ Hard sphere model ‎No edit summary
13:4513:45, 21 March 2007 diff hist −22‎ Carnahan-Starling equation of state ‎No edit summary
13:4413:44, 21 March 2007 diff hist +26‎ Carnahan-Starling equation of state ‎No edit summary
13:4313:43, 21 March 2007 diff hist +18‎ Equations of state ‎No edit summary
13:4313:43, 21 March 2007 diff hist 0‎ m Carnahan-Starling equation of state ‎ Carnahan-Starling moved to Carnahan-Starling equation of state
13:4113:41, 21 March 2007 diff hist 0‎ Hard ellipsoid equation of state ‎No edit summary
13:4113:41, 21 March 2007 diff hist +55‎ N Hard ellipsoid equation of state ‎ New page: *Nevbeda *Song and Mason *Parsons *Vega
13:3713:37, 21 March 2007 diff hist +2‎ Hard sphere: virial coefficients ‎No edit summary
13:3513:35, 21 March 2007 diff hist +34‎ Hard sphere: virial coefficients ‎No edit summary
13:2813:28, 21 March 2007 diff hist +1‎ Hard sphere: virial coefficients ‎No edit summary
13:2413:24, 21 March 2007 diff hist +91‎ Hard sphere: virial coefficients ‎No edit summary
13:2313:23, 21 March 2007 diff hist +91‎ Hard sphere: virial coefficients ‎No edit summary
13:2113:21, 21 March 2007 diff hist +95‎ Hard sphere: virial coefficients ‎No edit summary
13:1913:19, 21 March 2007 diff hist +92‎ Hard sphere: virial coefficients ‎No edit summary
13:1613:16, 21 March 2007 diff hist +58‎ Virial coefficients of model systems ‎No edit summary
13:1513:15, 21 March 2007 diff hist +98‎ Tables ‎No edit summary
13:1213:12, 21 March 2007 diff hist +598‎ N Tables ‎ New page: '''Wiki markup''' <blockquote style="background: white; border: 1px solid rgb(153, 153, 153); padding: 1em;"><pre><nowiki> {| style="width:75%; height:200px" border="1" |- | abc || def ||...
13:1113:11, 21 March 2007 diff hist +12‎ Help:Contents ‎No edit summary
13:1013:10, 21 March 2007 diff hist +95‎ Hard sphere: virial coefficients ‎No edit summary
13:0713:07, 21 March 2007 diff hist +92‎ Hard sphere: virial coefficients ‎No edit summary
13:0513:05, 21 March 2007 diff hist −10‎ Virial coefficients of model systems ‎No edit summary
13:0413:04, 21 March 2007 diff hist 0‎ m Hard sphere: virial coefficients ‎ Hard sphere: virial equation of state moved to Hard sphere: virial coefficients
13:0313:03, 21 March 2007 diff hist +17‎ Hard sphere: virial coefficients ‎No edit summary
12:5912:59, 21 March 2007 diff hist +42‎ Equations of state ‎No edit summary
12:5912:59, 21 March 2007 diff hist −85‎ Main Page ‎No edit summary
12:5812:58, 21 March 2007 diff hist +107‎ Hard sphere: virial coefficients ‎No edit summary
12:5112:51, 21 March 2007 diff hist +637‎ Hard sphere: virial coefficients ‎No edit summary
12:3212:32, 21 March 2007 diff hist −2‎ Virial coefficients of model systems ‎No edit summary
12:3112:31, 21 March 2007 diff hist −603‎ Virial coefficients of model systems ‎No edit summary
12:3112:31, 21 March 2007 diff hist +620‎ N Virial equation of state ‎ New page: The virial equation of state is used to describe the behavior of diluted gases. It is usually written as an expansion of the compresiblity factor, <math> Z </math>, in terms of either...
12:3012:30, 21 March 2007 diff hist +30‎ Equations of state ‎No edit summary

20:4120:41, 20 March 2007 diff hist +4‎ Martynov Sarkisov Vompe ‎No edit summary
19:2719:27, 20 March 2007 diff hist +21‎ Martynov Sarkisov Vompe ‎No edit summary
19:2319:23, 20 March 2007 diff hist +43‎ N C2MRG3 ‎ New page: ==References== Category: Random numbers
19:2119:21, 20 March 2007 diff hist +43‎ N MRG ‎ New page: ==References== Category: Random numbers
19:2019:20, 20 March 2007 diff hist +43‎ N PSWB ‎ New page: ==References== Category: Random numbers
19:2019:20, 20 March 2007 diff hist +43‎ N SWB ‎ New page: ==References== Category: Random numbers
19:2019:20, 20 March 2007 diff hist +43‎ N SCG ‎ New page: ==References== Category: Random numbers
19:2019:20, 20 March 2007 diff hist +44‎ RANDU ‎No edit summary
19:1919:19, 20 March 2007 diff hist +43‎ N ACG ‎ New page: ==References== Category: Random numbers
19:1919:19, 20 March 2007 diff hist +43‎ N Compound generators ‎ New page: ==References== Category: Random numbers
19:1919:19, 20 March 2007 diff hist +43‎ N Explicit inversive congruential generator ‎ New page: ==References== Category: Random numbers
19:1919:19, 20 March 2007 diff hist +43‎ N Inversive congruential generator ‎ New page: ==References== Category: Random numbers
19:1619:16, 20 March 2007 diff hist +21‎ Branched hard sphere chains ‎No edit summary
19:1519:15, 20 March 2007 diff hist +21‎ Square shoulder + square well model ‎No edit summary
19:1519:15, 20 March 2007 diff hist +21‎ Square shoulder model ‎No edit summary
19:1519:15, 20 March 2007 diff hist +21‎ United-atom model ‎No edit summary
19:1519:15, 20 March 2007 diff hist +21‎ Gaussian overlap model ‎No edit summary
19:1419:14, 20 March 2007 diff hist +21‎ Bond fluctuation model ‎No edit summary
19:1419:14, 20 March 2007 diff hist +21‎ Lattice gas ‎No edit summary current
19:1419:14, 20 March 2007 diff hist +21‎ Ising model ‎No edit summary
19:1219:12, 20 March 2007 diff hist +14‎ N United-atom model ‎ New page: ==References==
19:1119:11, 20 March 2007 diff hist +23‎ Models ‎ →‎'Soft' models
19:1019:10, 20 March 2007 diff hist +14‎ N Gaussian overlap model ‎ New page: ==References==
19:1019:10, 20 March 2007 diff hist +6‎ Models ‎ →‎'Soft' models
19:1019:10, 20 March 2007 diff hist +14‎ N Square shoulder + square well model ‎ New page: ==References==
19:1019:10, 20 March 2007 diff hist +14‎ N Square shoulder model ‎ New page: ==References==
19:0919:09, 20 March 2007 diff hist +14‎ N Branched hard sphere chains ‎ New page: ==References==
19:0919:09, 20 March 2007 diff hist +14‎ N Bond fluctuation model ‎ New page: ==References==
19:0919:09, 20 March 2007 diff hist +14‎ N SAFT (statistical associating fluid theory) ‎ New page: ==References==
19:0919:09, 20 March 2007 diff hist +14‎ N Wertheim's second order thermodynamic perturbation theory (TPT2) ‎ New page: ==References==
19:0819:08, 20 March 2007 diff hist +10‎ Perturbation theory ‎No edit summary
19:0819:08, 20 March 2007 diff hist +14‎ N Wertheim's first order thermodynamic perturbation theory (TPT1) ‎ New page: ==References==
19:0419:04, 20 March 2007 diff hist +70‎ Perturbation theory ‎No edit summary
18:5818:58, 20 March 2007 diff hist +28‎ Models ‎ →‎Lattice models
18:5418:54, 20 March 2007 diff hist +20‎ George Marsaglia ‎No edit summary
18:5418:54, 20 March 2007 diff hist +20‎ Pierre L'Ecuyer ‎No edit summary
18:5018:50, 20 March 2007 diff hist +110‎ Random numbers ‎No edit summary
18:4418:44, 20 March 2007 diff hist +153‎ N George Marsaglia ‎ New page: George Marsaglia developed the [http://random.com.hr/products/random/manual/html/Diehard.html Diehard] battery of stringent statistical randomness tests.
18:4218:42, 20 March 2007 diff hist +131‎ N Pierre L'Ecuyer ‎ New page: [http://www.iro.umontreal.ca/~lecuyer/ Pierre L'Ecuyer] holds the Canada Research Chair in Stochastic Simulation and Optimization.
18:4018:40, 20 March 2007 diff hist +20‎ Random numbers ‎No edit summary
18:4018:40, 20 March 2007 diff hist +70‎ Random numbers ‎No edit summary
18:3818:38, 20 March 2007 diff hist +83‎ Random numbers ‎No edit summary
18:3618:36, 20 March 2007 diff hist +275‎ N RCARRY ‎ New page: The RCARRY algorithm was proposed in 1991 by Marsaglia and Zaman. RCARRY used a subtract-and-borrow algorithm with a period on the order of <math>10^{171}</math> However, RCARRY still h...
18:3218:32, 20 March 2007 diff hist +49‎ N RANDU ‎ New page: A famously bad linear congruential generator.
18:2718:27, 20 March 2007 diff hist +22‎ Kauzmann's paradox ‎No edit summary
18:1918:19, 20 March 2007 diff hist +331‎ Kauzmann's paradox ‎No edit summary
18:0718:07, 20 March 2007 diff hist +95‎ Walter Kauzmann ‎No edit summary
18:0518:05, 20 March 2007 diff hist +20‎ Walter Kauzmann ‎No edit summary
18:0418:04, 20 March 2007 diff hist +131‎ N Walter Kauzmann ‎ New page: A special issue of Elsevier's 'Biophysical Chemistry' was published in September 2003 to celebrate Walter Kauzmann's 85th Birthday.
18:0418:04, 20 March 2007 diff hist +1‎ Biographies ‎No edit summary
18:0418:04, 20 March 2007 diff hist +20‎ Biographies ‎No edit summary
17:5917:59, 20 March 2007 diff hist +149‎ Kauzmann's paradox ‎No edit summary
17:5417:54, 20 March 2007 diff hist +266‎ N Kauzmann's paradox ‎ New page: ==References== #[http://dx.doi.org/ Walter Kauzmann "The Nature of the Glassy State and the Behavior of Liquids at Low Temperatures.", Chemical Reviews '''43''' pp. 219- (1948)] #[http://...
17:4417:44, 20 March 2007 diff hist +23‎ N Glass transition ‎ New page: *Kauzmann's paradox
17:4417:44, 20 March 2007 diff hist +21‎ N Supercooling and nucleation ‎ New page: *Glass transition
17:4317:43, 20 March 2007 diff hist +52‎ Non-equilibrium thermodynamics ‎No edit summary
17:3817:38, 20 March 2007 diff hist +2‎ Models ‎ →‎Soft models
17:3817:38, 20 March 2007 diff hist +3‎ Models ‎ →‎Hard models
17:3717:37, 20 March 2007 diff hist +32‎ Models ‎No edit summary
17:1717:17, 20 March 2007 diff hist +61‎ N Confined systems ‎ New page: *Zeolites *Parallel hard walls *Cylindrical pores
17:1617:16, 20 March 2007 diff hist −4‎ Polyamorphic systems ‎No edit summary
17:1617:16, 20 March 2007 diff hist +24‎ N Polyamorphic systems ‎ New page: Water Ramp model
17:1517:15, 20 March 2007 diff hist +6‎ Models ‎ →‎Soft models
17:1417:14, 20 March 2007 diff hist 0‎ m Gay-Berne model ‎ Gay-Berne moved to Gay-Berne model
17:1417:14, 20 March 2007 diff hist +268‎ N Gay-Berne model ‎ New page: ==References== #[http://dx.doi.org/10.1063/1.441483 J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics ...
17:1017:10, 20 March 2007 diff hist +19‎ N Category:Liquid crystals ‎ New page: Liquid crystals current
17:1017:10, 20 March 2007 diff hist +564‎ N Fused hard sphere chains ‎ New page: ==References== #[http://dx.doi.org/10.1103/PhysRevE.64.011703 Carl McBride, Carlos Vega, and Luis G. MacDowell "Isotropic-nematic phase transition: Influence of intramolecular flexibility...
17:0517:05, 20 March 2007 diff hist +1‎ Flexible hard sphere chains ‎No edit summary
17:0517:05, 20 March 2007 diff hist +57‎ N Flexible hard sphere chains ‎ New page: ==References== #[http://dx.doi.org/ ] category:models
16:5416:54, 20 March 2007 diff hist +291‎ N Tangent linear hard sphere chains ‎ New page: ==References== #[http://dx.doi.org/10.1063/1.1389095 Carlos Vega, Carl McBride, and Luis G. MacDowell "Liquid crystal phase formation for the linear tangent hard sphere model from Mo...
15:5615:56, 20 March 2007 diff hist +59‎ Ben-Naim models of water ‎No edit summary
15:5515:55, 20 March 2007 diff hist +34‎ N Ben-Naim models of water ‎ New page: The Ben-Naim and Stillinger model.
15:5215:52, 20 March 2007 diff hist +46‎ BJH model of water ‎No edit summary
15:5115:51, 20 March 2007 diff hist +271‎ N BJH model of water ‎ New page: ==References== #[http://dx.doi.org/10.1016/0009-2614(83)87112-7 P. Bopp, G. Jancsó and K. Heinzinger, "An improved potential for non-rigid water molecules in the liquid phase", Chemical P...
15:4715:47, 20 March 2007 diff hist +350‎ N BF model of water ‎ New page: The Bernal and Fowler (BF) model. ==References== #[http://dx.doi.org/10.1063/1.1749327 J. D. Bernal and R. H. Fowler "A Theory of Water and Ionic ...
11:4011:40, 20 March 2007 diff hist +228‎ Ramp model ‎ →‎References

18:5118:51, 19 March 2007 diff hist +47‎ Classical molecular dynamics ‎No edit summary
18:4818:48, 19 March 2007 diff hist +26‎ N Classical molecular dynamics ‎ New page: *Initial configuration
18:4818:48, 19 March 2007 diff hist +44‎ N Initial configuration ‎ New page: * Lattice structures
18:4518:45, 19 March 2007 diff hist +21‎ Metropolis Monte Carlo ‎ →‎Initial configuration
18:4218:42, 19 March 2007 diff hist +82‎ Talk:Hard sphere model ‎No edit summary
18:4118:41, 19 March 2007 diff hist +90‎ Hard sphere model ‎ →‎Experimental results
18:3118:31, 19 March 2007 diff hist +385‎ N VRT(ASP-W)III model of water ‎ New page: == References== #[http://dx.doi.org/10.1098/rsta.2004.1504 Nir Goldman , Claude Leforestier , R. J. Saykally "A 'first principles' potential energy surface for liquid water from VRT spectr...
18:2318:23, 19 March 2007 diff hist +18‎ List of ab initio water models ‎ →‎V
18:1718:17, 19 March 2007 diff hist +29‎ Water ‎No edit summary
18:0618:06, 19 March 2007 diff hist +46‎ N Phase diagrams ‎ New page: *Pressure-temperature *Binary mixtures
16:1716:17, 19 March 2007 diff hist +215‎ Researchers and research groups ‎ →‎India
16:0816:08, 19 March 2007 diff hist +129‎ Researchers and research groups ‎No edit summary
15:5415:54, 19 March 2007 diff hist +97‎ N Complex fluids ‎ New page: *Liquid crystals *Colloids *Gels *Polymers *Water *Glasses *Proteins
15:5415:54, 19 March 2007 diff hist −77‎ Main Page ‎No edit summary
15:3315:33, 19 March 2007 diff hist +155‎ Hard ellipsoid model ‎No edit summary
14:1914:19, 19 March 2007 diff hist +294‎ N Poly(ethylene oxide) ‎ New page: ==References== #[http://dx.doi.org/10.1080/00268970412331293811 Philip M. Anderson, Mark R. Wilson "Developing a force field for simulation of poly(ethylene oxide) based upon ab initio cal...
14:1714:17, 19 March 2007 diff hist +26‎ Force fields ‎No edit summary
14:1114:11, 19 March 2007 diff hist +9‎ Reverse Monte Carlo ‎ →‎References
14:0814:08, 19 March 2007 diff hist +419‎ N LCFF force field ‎ New page: An all-atom force field for the simulation of liquid crystal molecules in condensed phases. ==References== #[http://dx.doi.org/10.1080/10587250108028250 Melanie J. C...
14:0114:01, 19 March 2007 diff hist +10‎ Force fields ‎No edit summary
13:5913:59, 19 March 2007 diff hist −9‎ Force fields ‎No edit summary
13:5813:58, 19 March 2007 diff hist +1,237‎ MMFF94 force field ‎No edit summary
13:4413:44, 19 March 2007 diff hist +1,249‎ MM4 force field ‎No edit summary
13:3413:34, 19 March 2007 diff hist +117‎ N MMFF94 force field ‎ New page: ==References== #[http://dx.doi.org/ Journal of Computational Chemistry '''17''' pp. (1996)] category:force fields
13:3413:34, 19 March 2007 diff hist +12‎ Force fields ‎No edit summary
13:3313:33, 19 March 2007 diff hist +117‎ N MM4 force field ‎ New page: ==References== #[http://dx.doi.org/ Journal of Computational Chemistry '''17''' pp. (1996)] category:force fields
13:2613:26, 19 March 2007 diff hist +20‎ Flexible molecules ‎ →‎Van der Waals intramolecular interactions
13:2313:23, 19 March 2007 diff hist +98‎ Researchers and research groups ‎ →‎United States of America
13:2113:21, 19 March 2007 diff hist 0‎ MM2 force field ‎No edit summary
13:2113:21, 19 March 2007 diff hist +835‎ N MM3 force field ‎ New page: ==References== #[http://dx.doi.org/10.1021/ja00205a001 Norman L. Allinger, Young H. Yuh, and Jenn Huei Lii "Molecular mechanics. The MM3 force field for hydrocarbons. 1", Journal of the Am...
13:1413:14, 19 March 2007 diff hist +18‎ N Category:Force fields ‎ New page: '''Force fields'''
13:1413:14, 19 March 2007 diff hist +272‎ N MM2 force field ‎ New page: ==References== #[http://dx.doi.rog/10.1021/ja00467a001 Norman L. Allinger "Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms", Journal of the...
13:1013:10, 19 March 2007 diff hist +18‎ Force fields ‎No edit summary
13:0813:08, 19 March 2007 diff hist +344‎ N Approximate pair theory ‎ New page: '''Approximate pair theory''' (APT) ==References== #[http://dx.doi.org/10.1080/00268970701201106 A. K. Rappé; L. M. Bormann-Rochotte; D. C. Wiser; J. R. Hart; M. A. Pietsch; C. J. C...
13:0613:06, 19 March 2007 diff hist +29‎ Force fields ‎No edit summary
12:5912:59, 19 March 2007 diff hist +325‎ N Coarse graining ‎ New page: '''Coarse graining''' is a technique for reducing the number of degrees of freedom of a system. == References== #[http://dx.doi.org/10.1080/00268970701256696 J. -W. Chu; G. S. Ayton; S. ...
12:5512:55, 19 March 2007 diff hist +21‎ Main Page ‎No edit summary
12:4812:48, 19 March 2007 diff hist +34‎ Researchers and research groups ‎ →‎United States of America
12:2112:21, 19 March 2007 diff hist +5‎ SklogWiki:About ‎No edit summary
12:1812:18, 19 March 2007 diff hist 0‎ SklogWiki:About ‎No edit summary

16:2316:23, 17 March 2007 diff hist +75‎ Liquid crystals ‎No edit summary
16:1616:16, 17 March 2007 diff hist 0‎ Main Page ‎No edit summary
16:1516:15, 17 March 2007 diff hist +25‎ N Quantum statistics ‎ New page: *Fermions *Bosons
16:1516:15, 17 March 2007 diff hist +24‎ Main Page ‎No edit summary

17:3117:31, 16 March 2007 diff hist +22‎ Main Page ‎No edit summary
17:2517:25, 16 March 2007 diff hist −1‎ Main Page ‎No edit summary
17:2517:25, 16 March 2007 diff hist +40‎ Main Page ‎No edit summary
13:5213:52, 16 March 2007 diff hist +34‎ Statistical mechanics ‎No edit summary
13:5213:52, 16 March 2007 diff hist +66‎ HMSA ‎No edit summary
13:5113:51, 16 March 2007 diff hist +4‎ Reverse Monte Carlo ‎No edit summary
13:4913:49, 16 March 2007 diff hist +6‎ HMSA ‎No edit summary
13:4713:47, 16 March 2007 diff hist +292‎ N HMSA ‎ New page: The hybrid mean spherical approximation (HMSA) smoothly interpolates between the HNC and the mean spherical approximation closures <math>g(r) = \exp(-\beta u_r(r)) \left(1+\frac{\...
13:4213:42, 16 March 2007 diff hist 0‎ Ramp model ‎ →‎References
13:4013:40, 16 March 2007 diff hist +59‎ Ramp model ‎No edit summary
13:3013:30, 16 March 2007 diff hist +290‎ Ramp model ‎No edit summary
13:2113:21, 16 March 2007 diff hist +571‎ N Ramp model ‎ New page: ==References== *[http://dx.doi.org/10.1103/PhysRevLett.24.1284 P. C. Hemmer and G. Stell "Fluids with Several Phase Transitions", Physical Review Letters '''24''' pp. 1284 - 1287 (1970)] ...

17:3417:34, 13 March 2007 diff hist 0‎ m Hard sphere model ‎ →‎Experimental results
17:3317:33, 13 March 2007 diff hist +1‎ m Hard sphere model ‎ →‎Experimental results
17:2617:26, 13 March 2007 diff hist +389‎ Hard sphere model ‎No edit summary
15:4115:41, 13 March 2007 diff hist +72‎ Benjamin Thompson ‎No edit summary
15:2715:27, 13 March 2007 diff hist +233‎ Benjamin Thompson ‎No edit summary
15:1415:14, 13 March 2007 diff hist +252‎ N Benjamin Thompson ‎ New page: == References== #[http://links.jstor.org/sici?sici=0261-0523%281792%2982%3C48%3AEUHBMS%3E2.0.CO%3B2-G Benjamin Thompson, "Experiments upon Heat", Philosophical Transactions of the Royal S...
15:1215:12, 13 March 2007 diff hist +23‎ m Biographies ‎No edit summary

16:4616:46, 9 March 2007 diff hist +34‎ Statistical mechanics ‎No edit summary
16:4516:45, 9 March 2007 diff hist 0‎ m Isothermal-isobaric ensemble ‎ Isothermal-Isobaric ensemble moved to Isothermal-isobaric ensemble
16:4416:44, 9 March 2007 diff hist 0‎ Metropolis Monte Carlo ‎ →‎Main features

17:3017:30, 7 March 2007 diff hist +99‎ Researchers and research groups ‎ →‎United Kingdom
16:3016:30, 7 March 2007 diff hist +9‎ Researchers and research groups ‎ →‎Germany
16:3016:30, 7 March 2007 diff hist +80‎ Researchers and research groups ‎ →‎Germany

17:1417:14, 6 March 2007 diff hist +99‎ Researchers and research groups ‎ →‎Germany
17:0917:09, 6 March 2007 diff hist +127‎ Researchers and research groups ‎ →‎United Kingdom
17:0617:06, 6 March 2007 diff hist +89‎ Researchers and research groups ‎ →‎United Kingdom
16:5916:59, 6 March 2007 diff hist +80‎ Researchers and research groups ‎ →‎United States of America
16:5516:55, 6 March 2007 diff hist +83‎ Researchers and research groups ‎ →‎United Kingdom
16:5316:53, 6 March 2007 diff hist +78‎ Researchers and research groups ‎ →‎United Kingdom
16:4816:48, 6 March 2007 diff hist +133‎ Researchers and research groups ‎ →‎Australia
16:4716:47, 6 March 2007 diff hist +231‎ Researchers and research groups ‎ →‎United States of America
13:0413:04, 6 March 2007 diff hist +169‎ Conferences ‎No edit summary

17:2817:28, 5 March 2007 diff hist +50‎ Grand canonical ensemble ‎ →‎Helmholtz energy and Partition Function
17:2717:27, 5 March 2007 diff hist −33‎ Grand canonical ensemble ‎ →‎Free energy and Partition Function
17:2517:25, 5 March 2007 diff hist +9‎ Canonical ensemble ‎ →‎Free energy and Partition Function
17:2217:22, 5 March 2007 diff hist +25‎ Thermodynamic integration ‎No edit summary
17:2017:20, 5 March 2007 diff hist −18‎ Gibbs-Duhem integration ‎ →‎Example: phase equilibria of one-component system
16:5216:52, 5 March 2007 diff hist +105‎ Gibbs energy function ‎No edit summary
16:3916:39, 5 March 2007 diff hist +107‎ Helmholtz energy function ‎No edit summary
16:3716:37, 5 March 2007 diff hist +22‎ Helmholtz energy function ‎No edit summary
15:5815:58, 5 March 2007 diff hist +230‎ Ice XIV ‎No edit summary
15:5815:58, 5 March 2007 diff hist +230‎ Ice XIII ‎No edit summary
15:4715:47, 5 March 2007 diff hist 0‎ m Ice XIV ‎ XIV moved to Ice XIV
15:4715:47, 5 March 2007 diff hist 0‎ m Ice XIII ‎ XIII moved to Ice XIII
15:4715:47, 5 March 2007 diff hist +138‎ Ice phases ‎No edit summary
15:4515:45, 5 March 2007 diff hist +9‎ N Category:Water ‎ New page: Water current
15:4415:44, 5 March 2007 diff hist +284‎ N Ice XIV ‎ New page: ==References== *[http://dx.doi.org/10.1126/science.1123896 Christoph G. Salzmann, Paolo G. Radaelli, Andreas Hallbrucker, Erwin Mayer, and John L. Finney, "The Preparation and Structures o...
15:4415:44, 5 March 2007 diff hist +284‎ N Ice XIII ‎ New page: ==References== *[http://dx.doi.org/10.1126/science.1123896 Christoph G. Salzmann, Paolo G. Radaelli, Andreas Hallbrucker, Erwin Mayer, and John L. Finney, "The Preparation and Structures o...
15:3115:31, 5 March 2007 diff hist +352‎ N SAPT-pp model of water ‎ New page: Symmetry-adapted perturbation theory (SAPT) ==References== *[http://dx.doi.org/10.1063/1.474795 Eric M. Mas, Krzysztof Szalewicz, Robert Bukowski and Bogumil Jeziorski "Pair pote...
15:2715:27, 5 March 2007 diff hist +14‎ List of ab initio water models ‎ →‎S
15:0515:05, 5 March 2007 diff hist 0‎ Ice phases ‎No edit summary
15:0415:04, 5 March 2007 diff hist +135‎ N Ice phases ‎ New page: *I *II *III *IV *V *VI *VII *VIII *IX *X *XI *XII *XIII *XIV *LDA *HDA
15:0215:02, 5 March 2007 diff hist +573‎ N NvdE model of water ‎ New page: ==References== *[http://dx.doi.org/10.1063/1.1562610 Hiroki Nada and Jan P. J. M. van der Eerden, "An intermolecular potential model for the simulation of ice and water near the melting p...
14:5314:53, 5 March 2007 diff hist +350‎ N TIP4P/Ice model of water ‎ New page: ==References== *[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new gene...
14:5314:53, 5 March 2007 diff hist +350‎ N TIP4P/2005 model of water ‎ New page: ==References== *[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new gene...
14:5214:52, 5 March 2007 diff hist +350‎ N TIP4P-Ew model of water ‎ New page: ==References== *[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda, "Vapor-liquid equilibria from the triple point up to the critical point for the new gene...
14:4814:48, 5 March 2007 diff hist +1‎ List of ab initio water models ‎ →‎N
14:4714:47, 5 March 2007 diff hist +1‎ List of ab initio water models ‎ →‎M
14:4114:41, 5 March 2007 diff hist +10‎ List of empirical water models ‎ →‎N
14:3914:39, 5 March 2007 diff hist +31‎ List of empirical water models ‎ →‎T
14:3614:36, 5 March 2007 diff hist +16‎ Water ‎No edit summary
14:2914:29, 5 March 2007 diff hist +1‎ List of empirical water models ‎ →‎S
14:2814:28, 5 March 2007 diff hist +10‎ List of empirical water models ‎ →‎B
14:2814:28, 5 March 2007 diff hist −8‎ List of empirical water models ‎ →‎R
14:2714:27, 5 March 2007 diff hist +1‎ List of empirical water models ‎ →‎N
14:1614:16, 5 March 2007 diff hist 0‎ m List of ab initio water models ‎ Quantum models moved to Ab initio water models
14:1514:15, 5 March 2007 diff hist +14‎ Water models ‎No edit summary
14:1514:15, 5 March 2007 diff hist 0‎ m List of empirical water models ‎ Classical models moved to Empirical water models
14:1414:14, 5 March 2007 diff hist +42‎ List of empirical water models ‎No edit summary
14:1214:12, 5 March 2007 diff hist +6‎ List of ab initio water models ‎No edit summary
14:1114:11, 5 March 2007 diff hist +43‎ List of ab initio water models ‎No edit summary
14:0814:08, 5 March 2007 diff hist +20‎ List of empirical water models ‎No edit summary
14:0214:02, 5 March 2007 diff hist +263‎ List of empirical water models ‎No edit summary
13:5613:56, 5 March 2007 diff hist +130‎ List of ab initio water models ‎No edit summary
13:5213:52, 5 March 2007 diff hist +310‎ List of empirical water models ‎No edit summary
13:4313:43, 5 March 2007 diff hist +289‎ N CC-pol model of water ‎ New page: ==References== *[http://dx.doi.org/10.1126/science.1136371 Robert Bukowski, Krzysztof Szalewicz, Gerrit C. Groenenboom, and Ad van der Avoird, "Predictions of the Properties of Water from ...
13:3613:36, 5 March 2007 diff hist +12‎ List of ab initio water models ‎No edit summary
13:3513:35, 5 March 2007 diff hist +17‎ List of ab initio water models ‎No edit summary
13:3413:34, 5 March 2007 diff hist +47‎ List of ab initio water models ‎No edit summary
13:3013:30, 5 March 2007 diff hist +430‎ N SAPT-5s model of water ‎ New page: Symmetry-adapted perturbation theory (SAPT) ==References== *[http://dx.doi.org/10.1063/1.1311289 Eric M. Mas, Robert Bukowski, Krzysztof Szalewicz, Gerrit C. Groenenboom, Paul E. S. Worme...
13:2313:23, 5 March 2007 diff hist +12‎ N List of ab initio water models ‎ New page: *SAPT-5s
13:1613:16, 5 March 2007 diff hist +47‎ N List of empirical water models ‎ New page: *SPC/E *TIP4P *TIP5P *TIP5P/Ice
13:1613:16, 5 March 2007 diff hist −6‎ Water models ‎No edit summary
12:1512:15, 5 March 2007 diff hist +65‎ N Molecular dynamics ‎ New page: *Classical molecular dynamics *Quantum molecular dynamics
12:1312:13, 5 March 2007 diff hist +30‎ N Quantum Monte Carlo ‎ New page: *Path integral formulation
12:1312:13, 5 March 2007 diff hist −31‎ Main Page ‎No edit summary
12:1312:13, 5 March 2007 diff hist +25‎ Monte Carlo ‎No edit summary
12:1112:11, 5 March 2007 diff hist +97‎ Researchers and research groups ‎ →‎United Kingdom

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