dlimmer's library 271 articles Export

	Robust quantization of a molecular motor motion in a stochastic environment [My Copy] The Journal of Chemical Physics, Vol. 131, No. 18. (2009), 181101. by V. Y. Chernyak, N. A. Sinitsyn posted to no-tag by dlimmer on 2009-11-15 02:17:58 as
	Relaxation of Voronoi shells in hydrated molecular ionic liquids [My Copy] The Journal of Chemical Physics, Vol. 131, No. 17. (2009), 174509. by G. Neumayr, C. Schröder, O. Steinhauser posted to no-tag by dlimmer on 2009-11-15 02:11:47 as
	Thermal properties and Brillouin-scattering study of glass, crystal, and “glacial” states in n-butanol [My Copy] The Journal of Chemical Physics, Vol. 131, No. 17. (2009), 174508. by Merzak Hassaine, Rafael J. Jiménez Riobóo, Irina V. Sharapova, Oxana A. Korolyuk, Alexander I. Krivchikov, Miguel A. Ramos posted to no-tag by dlimmer on 2009-11-15 02:10:01 as
	Failure of the constrained equilibrium hypothesis in nucleation [My Copy] The Journal of Chemical Physics, Vol. 131, No. 17. (2009), 174505. by Lawrence S. Bartell posted to no-tag by dlimmer on 2009-11-15 02:09:02 as along with 1 person lutsko
	Solid-liquid equilibria and triple points of n-6 Lennard-Jones fluids [My Copy] The Journal of Chemical Physics, Vol. 131, No. 17. (2009), 174504. by Alauddin Ahmed, Richard J. Sadus posted to no-tag by dlimmer on 2009-11-15 02:03:04 as
	Bulk viscosity universality and scaling function near the binary liquid consolute point [My Copy] The Journal of Chemical Physics, Vol. 131, No. 17. (2009), 174502. by Jayanta K. Bhattacharjee, Ireneusz Iwanowski, Udo Kaatze posted to no-tag by dlimmer on 2009-11-15 02:02:22 as
	Phase diagram and structural properties of a simple model for one-patch particles [My Copy] The Journal of Chemical Physics, Vol. 131, No. 17. (2009), 174114. by Achille Giacometti, Fred Lado, Julio Largo, Giorgio Pastore, Francesco Sciortino posted to no-tag by dlimmer on 2009-11-15 02:01:44 as
	Improving replica exchange using driven scaling [My Copy] The Journal of Chemical Physics, Vol. 131, No. 17. (2009), 174113. by Alexis J. Lee, Steven W. Rick posted to no-tag by dlimmer on 2009-11-15 02:00:58 as
	Impact of surface charges on the solvation forces in confined colloidal solutions [My Copy] The Journal of Chemical Physics, Vol. 131, No. 15. (2009), 154702. by Stefan Grandner, Yan Zeng, Regine, Sabine H. L. Klapp posted to no-tag by dlimmer on 2009-10-29 20:17:38 as along with 1 person lutsko
	Excess of low frequency vibrational modes and glass transition: A molecular dynamics study for soft spheres at constant pressure [My Copy] The Journal of Chemical Physics, Vol. 131, No. 15. (2009), 154501. by Hugo M. Flores Ruiz, Gerardo G. Naumis posted to no-tag by dlimmer on 2009-10-29 20:17:19 as
	High level coupled cluster determination of the structure, frequencies, and heat of formation of water [My Copy] The Journal of Chemical Physics, Vol. 131, No. 15. (2009), 154306. by David Feller, Kirk A. Peterson posted to no-tag by dlimmer on 2009-10-29 20:16:55 as
	Separating forward and backward pathways in nonequilibrium umbrella sampling [My Copy] The Journal of Chemical Physics, Vol. 131, No. 15. (2009), 154104. by Alex Dickson, Aryeh Warmflash, Aaron R. Dinner posted to no-tag by dlimmer on 2009-10-29 20:16:34 as along with 1 person jjray
	An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions [My Copy] The Journal of Chemical Physics, Vol. 131, No. 15. (2009), 154103. by Yuchun Lin, Andrij Baumketner, Shaozhong Deng, Zhenli Xu, Donald Jacobs, Wei Cai posted to no-tag by dlimmer on 2009-10-29 20:16:12 as along with 2 people agrossfield RamuAnandakrishnan
	Density scaling in viscous liquids: From relaxation times to four-point susceptibilities [My Copy] The Journal of Chemical Physics, Vol. 131, No. 15. (2009), 151103. by D. Coslovich, C. M. Roland posted to no-tag by dlimmer on 2009-10-29 20:15:52 as
	Monte Carlo simulations for amphiphilic aggregation near a water phase transition [My Copy] The Journal of Chemical Physics, Vol. 131, No. 14. (2009), 144901. by G. Heinzelmann, W. Figueiredo, M. Girardi posted to no-tag by dlimmer on 2009-10-29 20:09:48 as
	Temperature and density dependence of the structural relaxation time in water by inelastic ultraviolet scattering [My Copy] The Journal of Chemical Physics, Vol. 131, No. 14. (2009), 144502. by F. Bencivenga, A. Cimatoribus, A. Gessini, M. G. Izzo, C. Masciovecchio posted to no-tag by dlimmer on 2009-10-29 20:09:09 as
	Low temperature photoelectron spectra of water cluster anions [My Copy] The Journal of Chemical Physics, Vol. 131, No. 14. (2009), 144303. by Lei Ma, Kiran Majer, Fabien Chirot, Bernd von Issendorff posted to no-tag by dlimmer on 2009-10-29 20:08:47 as
	Decomposition of energy and free energy changes by following the flow of work along reaction path [My Copy] The Journal of Chemical Physics, Vol. 131, No. 14. (2009), 144105. by Kevin Haas, Jhih W. Chu posted to no-tag by dlimmer on 2009-10-29 20:08:20 as
	Interfaces and hydrophobic interactions in receptor-ligand systems: A level-set variational implicit solvent approach [My Copy] The Journal of Chemical Physics, Vol. 131, No. 14. (2009), 144102. by Li T. Cheng, Zhongming Wang, Piotr Setny, Joachim Dzubiella, Bo Li, J. Andrew McCammon posted to no-tag by dlimmer on 2009-10-29 20:07:46 as
	Stepwise melting of a model glass former under confinement [My Copy] The Journal of Chemical Physics, Vol. 131, No. 13. (2009), 134504. by F. Calvo, D. J. Wales posted to no-tag by dlimmer on 2009-10-12 18:38:31 as
	A theoretical study of water equilibria: The cluster distribution versus temperature and pressure for (H[sub 2]O)[sub n], n = 1--60, and ice [My Copy] The Journal of Chemical Physics, Vol. 131, No. 13. (2009), 134302. by Annika Lenz, Lars Ojamäe posted to no-tag by dlimmer on 2009-10-12 18:38:02 as
	Optimal estimators and asymptotic variances for nonequilibrium path-ensemble averages [My Copy] The Journal of Chemical Physics, Vol. 131, No. 13. (2009), 134110. by David D. L. Minh, John D. Chodera posted to no-tag by dlimmer on 2009-10-12 18:37:26 as along with 1 person agrossfield
	Comprehensive investigation about the second order term of thermodynamic perturbation expansion [My Copy] The Journal of Chemical Physics, Vol. 131, No. 13. (2009), 134106. by Shiqi Zhou, J. R. Solana posted to no-tag by dlimmer on 2009-10-12 18:37:05 as
	Exploration of effective potential landscapes using coarse reverse integration [My Copy] The Journal of Chemical Physics, Vol. 131, No. 13. (2009), 134104. by Thomas A. Frewen, Gerhard Hummer, Ioannis G. Kevrekidis posted to no-tag by dlimmer on 2009-10-12 18:35:00 as
	Generalized Langevin models of molecular dynamics simulations with applications to ion channels [My Copy] The Journal of Chemical Physics, Vol. 131, No. 13. (2009), 134102. by Dan Gordon, Vikram Krishnamurthy, Shin H. Chung posted to no-tag by dlimmer on 2009-10-12 18:34:38 as along with 1 person agrossfield
	Transport properties of water at functionalized molecular interfaces [My Copy] The Journal of Chemical Physics, Vol. 131, No. 12. (2009), 125102. by Jun Feng, Ka Y. Wong, Kippi Dyer, B. Montgomery Pettitt posted to no-tag by dlimmer on 2009-10-02 02:49:28 as along with 1 person and 1 group whitead Jiang Research Group
	Solvent mediated interactions between model colloids and interfaces: A microscopic approach [My Copy] The Journal of Chemical Physics, Vol. 131, No. 12. (2009), 124704. by Paul Hopkins, Andrew J. Archer, Robert Evans posted to no-tag by dlimmer on 2009-10-02 02:48:38 as
	Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model [My Copy] The Journal of Chemical Physics, Vol. 131, No. 12. (2009), 124518. by E. G. Noya, C. Vega, L. M. Sesé, R. Ram'irez posted to no-tag by dlimmer on 2009-10-02 02:48:13 as
	Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: The importance of monomer deformations [My Copy] The Journal of Chemical Physics, Vol. 131, No. 12. (2009), 124509. by Biswajit Santra, Angelos Michaelides, Matthias Scheffler posted to no-tag by dlimmer on 2009-10-02 02:47:42 as
	Activation energies for evaporation from protonated and deprotonated water clusters from mass spectra [My Copy] The Journal of Chemical Physics, Vol. 131, No. 12. (2009), 124303. by K. Hansen, P. U. Andersson, E. Uggerud posted to no-tag by dlimmer on 2009-10-02 02:46:14 as
	Progress and challenges in the automated construction of Markov state models for full protein systems [My Copy] The Journal of Chemical Physics, Vol. 131, No. 12. (2009), 124101. by Gregory R. Bowman, Kyle A. Beauchamp, George Boxer, Vijay S. Pande posted to no-tag by dlimmer on 2009-10-02 02:45:35 as along with 1 person Diego_Prada
	How hydrophobic hydration responds to solute size and attractions: Theory and simulations [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 115102. by Manoj V. Athawale, Sumanth N. Jamadagni, Shekhar Garde posted to no-tag by dlimmer on 2009-09-23 17:12:42 as along with 1 person and 1 group whitead Jiang Research Group
	Transition path sampling of water exchange rates and mechanisms around aqueous ions [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 114512. by Sebastien Kerisit, Kevin M. Rosso posted to no-tag by dlimmer on 2009-09-23 17:11:35 as along with 1 person agrossfield
	Pressure-induced collapse of ice clathrate and hexagonal ice mixtures formed by freezing [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 114503. by Ove Andersson, G. P. Johari posted to no-tag by dlimmer on 2009-09-23 17:10:45 as
	High-density amorphous ice: Molecular dynamics simulations of the glass transition at 0.3 GPa [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 114502. by M. Seidl, T. Loerting, G. Zifferer posted to no-tag by dlimmer on 2009-09-23 17:10:08 as
	Anomalous properties of the local dynamics in polymer glasses [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 114501. by R. Casalini, C. M. Roland posted to no-tag by dlimmer on 2009-09-23 17:07:27 as
	Determination of the solid-liquid interfacial free energy along a coexistence line by Gibbs--Cahn integration [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 114110. by Brian B. Laird, Ruslan L. Davidchack, Yang Yang, Mark Asta posted to no-tag by dlimmer on 2009-09-23 17:05:39 as along with 1 person lutsko
	A computationally less demanding charge-on-spring model for the water molecule [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 114104. by András Baranyai posted to no-tag by dlimmer on 2009-09-23 17:04:51 as
	Diversity of kinetic pathways in amyloid fibril formation [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 111102. by Giovanni Bellesia, Joan E. Shea posted to no-tag by dlimmer on 2009-09-23 17:02:34 as
	Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104701. by Marco Fronzi, Aloysius Soon, Bernard Delley, Enrico Traversa, Catherine Stampfl posted to no-tag by dlimmer on 2009-09-18 18:52:35 as
	Breakdown of the Stokes--Einstein relation in Lennard-Jones glassforming mixtures with different interaction potential [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104510. by F. Affouard, M. Descamps, L. C. Valdes, J. Habasaki, P. Bordat, K. L. Ngai posted to no-tag by dlimmer on 2009-09-18 18:52:13 as
	Low-temperature fluid-phase behavior of ST2 water [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104508. by Yang Liu, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti posted to no-tag by dlimmer on 2009-09-18 18:51:51 as
	Driven simulations of the dynamic heat capacity [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104507. by Jonathan R. Brown, John D. McCoy, Douglas B. Adolf posted to no-tag by dlimmer on 2009-09-18 18:51:27 as
	Test of classical nucleation theory and mean first-passage time formalism on crystallization in the Lennard-Jones liquid [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104503. by Sarah E. M. Lundrigan, Ivan S. Voivod posted to no-tag by dlimmer on 2009-09-18 18:51:04 as along with 2 people lutsko michaelbussmann
	Evidence for a liquid-solid critical point in a simple monatomic system [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104502. by Maa N. Elenius, Mikhail Dzugutov posted to no-tag by dlimmer on 2009-09-18 18:50:46 as
	An ab initio study of the (H[sub 2]O)[sub 20]H[sup +] and (H[sub 2]O)[sub 21]H[sup +] water clusters [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104313. by Tomasz Kuś, Victor F. Lotrich, Ajith Perera, Rodney J. Bartlett posted to no-tag by dlimmer on 2009-09-18 18:50:02 as
	A spatial averaging approach to rare-event sampling [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104107. by J. D. Doll, J. E. Gubernatis, Nuria Plattner, Markus Meuwly, P. Dupuis, H. Wang posted to no-tag by dlimmer on 2009-09-18 18:49:39 as
	A comparison of new methods for generating energy-minimizing configurations of patchy particles [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104104. by Eric Jankowski, Sharon C. Glotzer posted to no-tag by dlimmer on 2009-09-18 18:49:18 as
	Coarse grained simulations of a small peptide: Effects of finite damping and hydrodynamic interactions [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104102. by Uwe Winter, Tihamér Geyer posted to no-tag by dlimmer on 2009-09-18 18:48:58 as along with 3 people and 1 group agrossfield whitead paulschlesinger Jiang Research Group
	Advanced multiple time scale molecular dynamics [My Copy] The Journal of Chemical Physics, Vol. 131, No. 10. (2009), 104101. by Igor P. Omelyan posted to no-tag by dlimmer on 2009-09-18 18:48:38 as along with 1 person agrossfield

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water	14
algorithm	10
glasses	8
nonequilibrium	6
catalysis	4
molecular-dynamics	4
solvation	4
stochastic-dynamics	4
ab-initio	3
hydrophobicity	3
quantum-classical	3
diffusion	2
driven-systems	2
free-energy	2
hydrogen-bonding	2
master-equation	2
mc	2
monte-carlo	2
nonadiabatic	2
polarizability	2
reaction-diffusion	2
solvated-electron	2
umbrella-sampling	2
viscosity	2
water-splitting	2
adsorption	1
amorphous	1
assembly	1
barostat	1
chain-relaxation	1
confined-geometry	1
confinement	1
crooks-fluctuation	1
dft	1
dipolar-fluid	1
dynamic-heterogeneity	1
dynamics	1
electrostatic-interactions	1
entropy	1
evaporation	1
exchange_method	1
fluids	1
formalism	1
glasseshard-spheres	1
glassesheat-capacity	1
helios	1
ice	1
ice-structure	1
instability	1
interface	1
ions	1
kinetic-monte-carlo	1
kinetics	1
lattice-gas	1
liquid-interfaceelectrolyte	1
liquid-liquid	1
liquids	1
lj-fluid	1
nonlinear	1
normal-modes	1
npt-ensemble	1
parallel-tempering	1
path_integral	1
polar-liquids	1
proteins	1
proton-transfer	1
reaction-kinetics	1
redoxqm-md	1
replica-exchange	1
rheologycolloids	1
rism	1
rismwaterintegral-equations	1
self-assemblynanoparticles	1
stochastic-kineticsredox	1
stochastic-processes	1
structure	1
supercooled	1
water-	1
water-interface	1

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