Publications

Author Title Type [ Year(Desc)]
Filters: Keyword is Solvents  [Clear All Filters]
1994
Ferrario, M. ; Laria, D. ; Ciccotti, G. ; Kapral, R. . Quantum Effects On The Solvent Contribution To The Activation Free Energy. Journal of Molecular Liquids 1994, 61, 37-47.
1997
Kapral, R. ; Consta, S. ; Laria, D. . 1996 Polanyi Award Lecture Proton Reactions In Clusters. Canadian Journal of Chemistry 1997, 75, 1-8.
2001
Lee, S. H. ; Kapral, R. . Cluster Structure And Dynamics In A Mesoscopic Solvent. Physica A: Statistical Mechanics and its Applications 2001, 298, 56-68.PDF icon PDF (154.78 KB)
2002
Laria, D. ; Kapral, R. . Electron Solvation In Aqueous Reverse Micelles: Equilibrium Properties. Journal of Chemical Physics 2002, 117, 7712-7718.PDF icon PDF (165.22 KB)
2004
Lee, S. H. ; Kapral, R. . Friction And Diffusion Of A Brownian Particle In A Mesoscopic Solvent. Journal of Chemical Physics 2004, 121, 11163-11169.PDF icon PDF (105.07 KB)
2005
Lee, S. H. ; Kapral, R. . Two-Particle Friction In A Mesoscopic Solvent. Journal of Chemical Physics 2005, 122.PDF icon PDF (189.75 KB)
2006
Lee, S. H. ; Kapral, R. . Mesoscopic Description Of Solvent Effects On Polymer Dynamics. Journal of Chemical Physics 2006, 124.PDF icon PDF (338.18 KB)
Hanna, G. ; Kapral, R. . Nonadiabatic Dynamics Of Condensed Phase Rate Processes. Accounts of Chemical Research 2006, 39, 21-27.PDF icon mqc-accounts06.pdf (149.81 KB)
2007
Rückner, G. ; Kapral, R. . Chemically Powered Nanodimers. Physical Review Letters 2007, 98.PDF icon PDF (585.72 KB)
2008
Tao, Y. - G. ; Kapral, R. . Design Of Chemically Propelled Nanodimer Motors. Journal of Chemical Physics 2008, 128.PDF icon PDF (1.29 MB)
Cressman, A. ; Togashi, Y. ; Mikhailov, A. S. ; Kapral, R. . Mesoscale Modeling Of Molecular Machines: Cyclic Dynamics And Hydrodynamical Fluctuations. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2008, 77.PDF icon PDF (448.29 KB)
Hanna, G. ; Kapral, R. . Quantum-Classical Liouville Dynamics Of Proton And Deuteron Transfer Rates In A Solvated Hydrogen-Bonded Complex. Journal of Chemical Physics 2008, 128.PDF icon PDF (390.64 KB)
2009
Alonso, S. ; Kapral, R. ; Bär, M. . Effective Medium Theory For Reaction Rates And Diffusion Coefficients Of Heterogeneous Systems. Physical Review Letters 2009, 102.PDF icon PDF (1.15 MB)
2010
Echeverria, C. ; Kapral, R. . Macromolecular Dynamics In Crowded Environments. Journal of Chemical Physics 2010, 132.PDF icon meso-polymer-crowd-jcp-2010.pdf (785.99 KB)
2011
Chen, J. - X. ; Kapral, R. . Mesoscopic Dynamics Of Diffusion-Influenced Enzyme Kinetics. Journal of Chemical Physics 2011, 134.PDF icon meso-enzyme-kinetics-jcp-11.pdf (884.6 KB)
2012
Huang, M. - J. ; Kapral, R. ; Mikhailov, A. S. ; Chen, H. - Y. . Coarse-Grain Model For Lipid Bilayer Self-Assembly And Dynamics: Multiparticle Collision Description Of The Solvent. Journal of Chemical Physics 2012, 137.PDF icon meso-lipid-jcp-12.pdf (464.5 KB)
Schofield, J. ; Inder, P. ; Kapral, R. . Modeling Of Solvent Flow Effects In Enzyme Catalysis Under Physiological Conditions. Journal of Chemical Physics 2012, 136.PDF icon meso-pgk-jcp-12.pdf (1.09 MB)
2015
Colberg, P. H. ; Kapral, R. . Nanoconfined Catalytic Ångström-Size Motors. Journal of Chemical Physics 2015, 143.PDF icon chemotactic-hydrodynamic-effects-jcp-2017.pdf (3.82 MB)