| 2264 |
|
Publisher = {WIT}, |
| 2265 |
|
Title = {The interfacial behavior of liquid water near hydrophobic surfaces: a parallel force decomposition molecular dynamics code}, |
| 2266 |
|
Year = {2000}} |
| 2267 |
+ |
|
| 2268 |
+ |
@Article{Cygan04, |
| 2269 |
+ |
author = {R.~T. Cygan and J.-J. Liang and A.~G. Kalinichev}, |
| 2270 |
+ |
title = {Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field}, |
| 2271 |
+ |
journal = jpcb, |
| 2272 |
+ |
year = 2004, |
| 2273 |
+ |
volume = 108, |
| 2274 |
+ |
pages = {1255-1266} |
| 2275 |
+ |
} |
| 2276 |
+ |
|
| 2277 |
+ |
@Article{Frenkel84, |
| 2278 |
+ |
author = {D. Frenkel and A.~J.~C. Ladd}, |
| 2279 |
+ |
title = {New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres}, |
| 2280 |
+ |
journal = jcp, |
| 2281 |
+ |
year = 1984, |
| 2282 |
+ |
volume = 81, |
| 2283 |
+ |
number = 7, |
| 2284 |
+ |
pages = {3188-3193} |
| 2285 |
+ |
} |
| 2286 |
+ |
|
| 2287 |
+ |
@Article{Hermens88, |
| 2288 |
+ |
author = {J. Hermans and A. Pathiaseril and A. Anderson}, |
| 2289 |
+ |
title = {Excess Free Energy of Liquids from Molecular Dynamics Simulations. Application to Water Models}, |
| 2290 |
+ |
journal = jacs, |
| 2291 |
+ |
year = 1988, |
| 2292 |
+ |
volume = 110, |
| 2293 |
+ |
pages = {5982-5986} |
| 2294 |
+ |
} |
| 2295 |
+ |
|
| 2296 |
+ |
@Article{Meijer90, |
| 2297 |
+ |
author = {E.~J. Meijer and D. Frenkel and R.~A. LeSar and A.~J.~C. Ladd}, |
| 2298 |
+ |
title = {Location of melting point at 300 K of nitrogen by Monte Carlo simulation}, |
| 2299 |
+ |
journal = jcp, |
| 2300 |
+ |
year = 1990, |
| 2301 |
+ |
volume = 92, |
| 2302 |
+ |
number = 12, |
| 2303 |
+ |
pages = {7570-7575} |
| 2304 |
+ |
} |
| 2305 |
+ |
@Article{Baez95a, |
| 2306 |
+ |
author = {L.~A. B\`{a}ez and P. Clancy}, |
| 2307 |
+ |
title = {Calculation of free energy for molecular crystals by thermodynamic integration}, |
| 2308 |
+ |
journal = mp, |
| 2309 |
+ |
year = 1995, |
| 2310 |
+ |
volume = 86, |
| 2311 |
+ |
number = 3, |
| 2312 |
+ |
pages = {385-396} |
| 2313 |
+ |
} |
| 2314 |
+ |
@Article{Vlot99, |
| 2315 |
+ |
author = {M.~J. Vlot and J. Huinink and J.~P. van~der~Eerden}, |
| 2316 |
+ |
title = {Free energy calculations on systems of rigid molecules: An application to the TIP4P model of H$_2$O}, |
| 2317 |
+ |
journal = jcp, |
| 2318 |
+ |
year = 1999, |
| 2319 |
+ |
volume = 110, |
| 2320 |
+ |
number = 1, |
| 2321 |
+ |
pages = {55-61} |
| 2322 |
+ |
} |