Publications

Author Title Type [ Year(Desc)]
Filters: Keyword is chemical structure  [Clear All Filters]
2008
Tao, Y. - G. ; Kapral, R. . Design Of Chemically Propelled Nanodimer Motors. Journal of Chemical Physics 2008, 128.PDF icon PDF (1.29 MB)
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)
Grunwald, R. ; Kim, H. ; Kapral, R. . Surface-Hopping Dynamics And Decoherence With Quantum Equilibrium Structure. Journal of Chemical Physics 2008, 128.PDF icon PDF (431.67 KB)
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)
Thakur, S. ; Kapral, R. . Self-Propelled Nanodimer Bound State Pairs. Journal of Chemical Physics 2010, 133.PDF icon PDF (677.4 KB)
2011
Thakur, S. ; Chen, J. - X. ; Kapral, R. . Interaction Of A Chemically Propelled Nanomotor With A Chemical Wave. Angewandte Chemie - International Edition 2011, 50, 10165-10169.PDF icon meso_wave-dimer-agc2-2011.pdf (1.78 MB)
2012
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)
2013
Huang, M. - J. ; Kapral, R. ; Mikhailov, A. S. ; Chen, H. - Y. . Coarse-Grain Simulations Of Active Molecular Machines In Lipid Bilayers. Journal of Chemical Physics 2013, 138.PDF icon PDF (464.5 KB)
Kapral, R. . Perspective: Nanomotors Without Moving Parts That Propel Themselves In Solution. Journal of Chemical Physics, 2013, 138.
2015
Huang, M. - J. ; Kapral, R. . A Catalytic Oligomeric Motor That Walks Along A Filament Track. Journal of Chemical Physics 2015, 142.PDF icon meso-filament-motor-jcp-2015.pdf (2 MB)
Echeverria, C. ; Kapral, R. . Enzyme Kinetics And Transport In A System Crowded By Mobile Macromolecules. Physical Chemistry Chemical Physics 2015, 17, 29243-29250.PDF icon PDF (2.75 MB)