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Group: baker-group - with tag statistical_mechanics [398 articles]

Neue Artikel von Mitliedern der Gruppe baker-group Gruppe with tag statistical_mechanics
  • Effect of Solvent Discreteness on Solvation
    J. Phys. Chem. B, Vol. 102, No. 27. (2 July 1998), pp. 5348-5357.
    by A Papazyan, A Warshel
    posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-07-24 12:41:40 as read
  • Free-energy analysis of the molecular binding into lipid membrane with the method of energy representation
    The Journal of Chemical Physics, Vol. 128, No. 19. (2008)
    by Nobuyuki Matubayasi, Wataru Shinoda, Masaru Nakahara
    posted to biomembranes ligand-membrane_interactions solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-07-23 11:59:00 as read along with 2 people agrossfield paulschlesinger
  • Statistical mechanics of polar fluids in electric fields
    The Journal of Chemical Physics, Vol. 72, No. 3. (1980), pp. 1597-1613.
    by Ho JS Ye, G Stell
    posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-07-22 12:00:42 as read
  • Theory of Dielectric Relaxation in Polar Liquids
    The Journal of Chemical Physics, Vol. 52, No. 12. (1970), pp. 6353-6363.
    by Tsu W Nee, Robert Zwanzig
    posted to diffusion electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-07-17 22:39:18 as read
  • Electric Moments of Molecules in Liquids
    Journal of the American Chemical Society, Vol. 58, No. 8. (1936), pp. 1486-1493.
    by L Onsager
    posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-07-17 18:32:11 as read
  • Dipolar Poisson-Boltzmann Equation: Ions and Dipoles Close to Charge Interfaces
    Physical Review Letters, Vol. 99, No. 7. (2007)
    by Ariel Abrashkin, David Andelman, Henri Orland
    posted to biomembranes electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-07-16 16:04:48 as read
  • Solution of the Percus-Yevick equation for hard disks
    The Journal of Chemical Physics, Vol. 128, No. 18. (2008)
    by Adda M Bedia, E Katzav, D Vella
    posted to integral_equation solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-07-08 12:19:31 as read
  • Solvation Free Energy of Polar and Nonpolar Molecules in Water: An Extended Interaction Site Integral Equation Theory in Three Dimensions
    J. Phys. Chem. B, Vol. 104, No. 4. (3 February 2000), pp. 796-805.
    by Q Du, D Beglov, B Roux
    posted to solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-06-30 12:37:45 as read
  • Scaling of Hydrophobic Solvation Free Energies
    J. Phys. Chem. B, Vol. 105, No. 28. (19 July 2001), pp. 6704-6709.
    by DM Huang, PL Geissler, D Chandler
    posted to nonpolar solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-06-30 12:07:43 as read
  • Solvent density inhomogeneities and solvation free energies in supercritical diatomic fluids: A density functional approach
    The Journal of Chemical Physics, Vol. 126, No. 5. (2007)
    by B Husowitz, V Talanquer
    posted to solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-06-29 20:27:59 as read
  • Density functional study on the structural and thermodynamic properties of aqueous DNA-electrolyte solution in the framework of cell model
    The Journal of Chemical Physics, Vol. 128, No. 18. (2008)
    by Ke Wang, Yang X Yu, Guang H Gao
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-06-26 11:56:45 as read
  • Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction
    Journal of Computational Chemistry, Vol. 9999, No. 9999. (2008), NA.
    by Gennady N Chuev, Maxim V Fedorov, Sandro Chiodo, Nino Russo, Emilia Sicilia
    posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-06-17 12:05:08 as read
  • Effective Method of Characterizing Specific Liquid Fluorocarbon Interactions Using Ultrasound
    J. Phys. Chem. B, Vol. 112, No. 20. (22 May 2008), pp. 6420-6425.
    by S Ravi, J Amoros, Arockia
    posted to perfluorocarbons statistical_mechanics ultrasound by sobolevnrm to the group baker-group on 2008-05-23 11:19:28 as read
  • Coarse graining of master equations with fast and slow states
    The Journal of Chemical Physics, Vol. 128, No. 15. (2008)
    by Simone Pigolotti, Angelo Vulpiani
    posted to kinetics mathematics statistical_mechanics by sobolevnrm to the group baker-group on 2008-05-22 11:56:49 as read
  • Efficient sampling of ion motions in molecular dynamics simulations on DNA: Variant Hamiltonian replica exchange method
    Chemical Physics Letters, Vol. 454, No. 4-6. (20 March 2008), pp. 391-395.
    by Donghong Min, Hongzhi Li, Guohui Li, Bernd A Berg, Marcia O Fenley, Wei Yang
    posted to electrostatics molecular_simulation nucleic_acids statistical_mechanics by sobolevnrm to the group baker-group on 2008-05-08 11:41:20 as read along with 1 person Elena_Zubova
  • Electrostatic Free Energy Landscapes for DNA Helix Bending
    Biophys. J., Vol. 94, No. 8. (15 April 2008), pp. 3137-3149.
    by Zhi-Jie Tan, Shi-Jie Chen
    posted to electrostatics nucleic_acids statistical_mechanics by sobolevnrm to the group baker-group on 2008-05-05 11:11:07 as read along with 3 people onufriev sunhwan Elena_Zubova
  • Spherical polyelectrolyte brushes in the presence of multivalent counterions: The effect of fluctuations and correlations as determined by molecular dynamics simulations
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 77, No. 3. (2008)
    by Yu Mei, Martin Hoffmann, Matthias Ballauff, Arben Jusufi
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-04-30 11:15:50 as read
  • Dynamical Clustering of Counterions on Flexible Polyelectrolytes
    Physical Review Letters, Vol. 100, No. 12. (2008)
    by Tak S Lo, Boris Khusid, Joel Koplik
    posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-04-30 11:11:29 as read
  • Fortran codes for the correlation functions of hard sphere fluids
    Molecular Physics, Vol. 106, No. 1. (2008), pp. 3-7.
    by WR Smith, DJ Henderson, PJ Leonard, JA Barker, EW Grundke
    posted to nonpolar solvation statistical_mechanics teaching by sobolevnrm to the group baker-group on 2008-04-17 11:49:58 as read
  • Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution
    Journal of Computational Chemistry, Vol. 29, No. 6. (2008), pp. 871-882.
    by Tatsuhiko Miyata, Fumio Hirata
    posted to molecular_dynamics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-04-15 11:53:50 as read
  • Binding of Similarly Charged Plates with Counterions Only
    Physical Review Letters, Vol. 87, No. 7. (26 July 2001), 078301.
    by André G Moreira, Roland R Netz
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-04-14 12:09:27 as read
  • Simulation of charge reversal in salty environments: Giant overcharging?
    The European Physical Journal E - Soft Matter
    by O Lenz, C Holm
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-04-10 11:55:49 as read
  • Ion Size and Image Effect on Electrokinetic Flows
    Langmuir (1 February 2008)
    by Y Liu, M Liu, WM Lau, J Yang
    posted to diffusion electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-28 12:35:00 as read along with 1 person mikaellund
  • Fluctuation and correlation effects in a charged surface immersed in an electrolyte solution
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 77, No. 1. (2008)
    by AWC Lau
    posted to electrostatics interfaces statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-22 12:08:36 as read
  • Extension of the Debye--H[u-umlaut]ckel Theory of Electrolyte Solutions
    The Journal of Chemical Physics, Vol. 50, No. 6. (1969), pp. 2277-2288.
    by CW Outhwaite
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-21 12:38:32 as read
  • Partially Reflected Diffusion
    SIAM Journal on Applied Mathematics, Vol. 68, No. 3. (2008), pp. 844-868.
    by A Singer, Z Schuss, A Osipov, D Holcman
    posted to diffusion statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-19 12:30:50 as read
  • An integral equation theory for inhomogeneous molecular fluids: The reference interaction site model approach
    The Journal of Chemical Physics, Vol. 128, No. 3. (2008)
    by R Ishizuka, SH Chong, F Hirata
    posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-19 12:27:19 as read
  • Usage of the Mori-Zwanzig method in time series analysis
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 77, No. 1. (2008)
    by Markus Niemann, Thomas Laubrich, Eckehard Olbrich, Holger Kantz
    posted to diffusion kinetics statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-19 12:25:15 as read
  • Numerical methods for fluctuation-driven interactions between dielectrics
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 77, No. 1. (2008)
    by S Pasquali, F Nitti, AC Maggs
    posted to biomembranes electrostatics interfaces statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-18 12:55:41 as read
  • Kinetics of diffusion-influenced bimolecular reactions in solution. I. General formalism and relaxation kinetics of fast reversible reactions
    The Journal of Chemical Physics, Vol. 86, No. 4. (1987), pp. 1883-1903.
    by Sangyoub Lee, Martin Karplus
    posted to kinetics statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-18 12:46:35 as read
  • Electrostatic Free Energy and Its Variations in Implicit Solvent Models
    J. Phys. Chem. B (15 February 2008)
    by J Che, J Dzubiella, B Li, JA Mccammon
    posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-15 12:02:44 as read
  • Normality Tests for Spatially Correlated Data
    Mathematical Geology, Vol. 36, No. 6. (2004), pp. 659-681.
    by Eulogio Pardo-Igúzquiza, Peter A Dowd
    posted to quasiharmonic-models_elastic-network_gnm_nma_pca_etc statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-13 14:18:58 as read
  • Fluctuations and the Limit of Validity of the Debye-H[u-umlaut]ckel Theory
    The Journal of Chemical Physics, Vol. 31, No. 4. (1959), pp. 1086-1095.
    by Henry S Frank, Peter T Thompson
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-13 12:47:53 as read
  • The cell model for polyelectrolyte systems. Exact statistical mechanical relations, Monte Carlo simulations, and the Poisson–Boltzmann approximation
    Journal of Chemical Physics, Vol. 76, No. 9. (1982), 4665.
    by H Wennerström, B Jönsson, P Linse
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-11 12:49:48 as read
  • A site--site theory for finite concentration saline solutions
    The Journal of Chemical Physics, Vol. 97, No. 10. (1992), pp. 7656-7666.
    by John Perkyns, Montgomery B Pettitt
    posted to electrostatics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-11 12:44:01 as read
  • Effects of solute--solvent attractive forces on hydrophobic correlations
    The Journal of Chemical Physics, Vol. 73, No. 7. (1980), pp. 3434-3441.
    by Lawrence R Pratt, David Chandler
    posted to nonpolar solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-11 12:37:17 as read
  • The ionic correlation contribution to the free energy of spherical double layers
    The Journal of Chemical Physics, Vol. 89, No. 8. (1988), pp. 5145-5152.
    by Clifford E Woodward, Bo Jönsson, Torbjörn \ Kesson
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-09 23:09:51 as read
  • Statistical mechanics of a Coulomb gas with finite size particles: A lattice field theory approach
    The Journal of Chemical Physics, Vol. 102, No. 11. (1995), pp. 4584-4594.
    by Rob D Coalson, Alan M Walsh, Anthony Duncan, Nir B Tal
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-02-08 12:30:38 as read
  • Potential of Average Force in a Plasma
    Physical Review, Vol. 147, No. 1. (July 1966), 101.
    by O Theimer, P Kepple
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-01-30 12:42:29 as read
  • Phase separation of saturated and mono-unsaturated lipids as determined from a microscopic model
    The Journal of Chemical Physics, Vol. 122, No. 4. (2005)
    by R Elliott, K Katsov, M Schick, I Szleifer
    posted to biomembranes multiscale statistical_mechanics by sobolevnrm to the group baker-group on 2008-01-28 12:51:48 as read along with 1 person paulschlesinger
  • Water-like solvation thermodynamics in a spherically symmetric solvent model with two characteristic lengths
    Proceedings of the National Academy of Sciences, Vol. 104, No. 51. (18 December 2007), pp. 20177-20182.
    by Sergey V Buldyrev, Pradeep Kumar, Pablo G Debenedetti, Peter J Rossky, Eugene H Stanley
    posted to solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-01-28 12:32:21 as read
  • Dynamics of essential collective motions in proteins: Theory
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 76, No. 5. (2007)
    by Maria Stepanova
    posted to kinetics quasiharmonic-models_elastic-network_gnm_nma_pca_etc statistical_mechanics by sobolevnrm to the group baker-group on 2008-01-25 12:52:15 as read along with 2 people choonpeng Diego_Prada
  • Improvements of DRISM calculations: symmetry reduction and hybrid algorithms
    Physical Chemistry Chemical Physics (2008)
    by S Woelki, HH Kohler, H Krienke, G Schmeer
    posted to solvation statistical_mechanics by sobolevnrm to the group baker-group on 2008-01-21 12:38:46 as read
  • The influence of zwitterionic lipids on the electrostatic adsorption of macroions onto mixed lipid membranes
    The Journal of Chemical Physics, Vol. 127, No. 21. (2007)
    by Andrew Haugen, Sylvio May
    posted to biomembranes electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2008-01-15 13:12:09 as read
  • Macroion adsorption: The crucial role of excluded volume and coions
    The Journal of Chemical Physics, Vol. 127, No. 21. (2007)
    by René Messina
    posted to biomembranes electrostatics interfaces statistical_mechanics by sobolevnrm to the group baker-group on 2008-01-11 13:01:48 as read
  • Enthalpy-Entropy Compensation: A Phantom or Something Useful?
    J. Phys. Chem. B (29 November 2007)
    by EB Starikov, B Norden
    posted to statistical_mechanics by sobolevnrm to the group baker-group on 2008-01-03 12:30:07 as read along with 1 person dmobley
  • Dielectric Properties of Proteins from Simulation: The Effects of Solvent, Ligands, pH, and Temperature
    Biophys. J., Vol. 80, No. 6. (1 June 2001), pp. 2546-2555.
    by Jed W Pitera, Michael Falta, Wilfred F van Gunsteren
    posted to electrostatics molecular_dynamics solvation statistical_mechanics by sobolevnrm to the group baker-group on 2007-12-27 14:35:55 as read
  • A Water-Explicit Lattice Model of Heat-, Cold-, and Pressure-Induced Protein Unfolding.
    Biophys J (31 August 2007)
    by Bryan A A Patel, Pablo G G Debenedetti, Frank H H Stillinger, Peter J J Rossky
    posted to protein_folding solvation statistical_mechanics by sobolevnrm to the group baker-group on 2007-12-27 12:19:28 as read along with 1 person saunders
  • Localization and visualization of excess chemical potential in statistical mechanical integral equation theory 3D-HNC-RISM
    Journal of Molecular Graphics and Modelling, Vol. 26, No. 6. (February 2008), pp. 1014-1019.
    by Qi-Shi Du, Peng-Jun Liu, Ri-Bo Huang
    posted to solvation statistical_mechanics visualization by sobolevnrm to the group baker-group on 2007-12-24 13:48:09 as read
  • Inhomogeneous Coulomb fluids with image interactions between planar surfaces. I
    The Journal of Chemical Physics, Vol. 82, No. 4. (1985), pp. 2122-2135.
    by Roland Kjellander, Stjepan Marcelja
    posted to electrostatics statistical_mechanics by sobolevnrm to the group baker-group on 2007-12-21 12:42:37 as read
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