On the theory of charge transport and entropic effects in solvated molecular junctions
J. K. Sowa and R. A. Marcus, J. Chem. Phys., 154, 034110, doi: 10.1063/5.0034782 (2021)

Red squares are the generalized theory, blue dots are the Marcus theory, and the solid blue line is
the Landauer theory for these conditions. The α, which lies between 0 and 1, reflects the symmetry of
the voltage drop across the molecule in the junction. In the off-resonant region the current is
extremely small, too small on this scale to see the difference of the three theories.

What can be learned about the enzyme ATPase from single-molecule studies of its subunit F1?
Q. Rev. Biophys., 50 (14), 1-13, doi: 10.1017/S0033583517000129 (2017)

The F1 subsystem of the F-ATPase structure resolved by the
Walker group viewed in the plane of the α3β3 ring.
The light-blue central feature is the rotor shaft.

Theory of single-molecule controlled rotation experiments, predictions, tests, and comparison with stalling experiments in F1-ATPases.

S. Volkan-Kacso and R. A. Marcus, Proc. Nat. Acad. Sci., 10.1073/pnas.1611601113 (2016)


Binding and release rate and equilibrium rate constants vs.
angle θ for Cy3-ATP, corrected for missed events. Points are experiments,
solid lines are theory with no adjustable parameters, and dashed lines
are theory if no correction is made for missed events.


A theory of rates, equilibrium constants and Brønsted slopes in F1-ATPase single molecule imaging experiments
S. Volkan-Kacso and R. A. Marcus, Proc. Nat. Acad. Sci., USA, 112, 14230-14235 (2015)

Dependence of forward and reverse rates and free energy
profiles on the stalling angle θ for a given step.

Phonon Mode Transformation Across the Orthohombic-Tetragonal Phase Transition in a Lead Iodide Perovskite CH3NH3Pbl3: A Terahertz Time-Domain Spectroscopy Approach
C. La-o-vorakiat, T. Salim, J. Kadro, M.-T. Khuc, R. Haselsberger, L. Cheng, H. Xia, G. G. Gurzadyan, H. Su, Y. M. Lam, R. A. Marcus, M.-E. Michel-Beyerle, E. E. M. Chia J. Phys. Chem. Lett., 10.1021/acs.jpclett.5b02223 (2015)


THz real conductivity of the perovskite CH3NH3Pbl3 versus temperature and THz frequency

Extension of the Diffusion Controlled Electron Transfer Theory for Intermittent Fluorescence of Quantum Dots: Inclusion of Biexcitons and the Difference of “On” and “Off” Time Distributions

Z. Zhu and R. A. Marcus,
Phys. Chem. Chem. Phys., 0.1039/C4CP01274G (2014)




Theory of a single dye molecule blinking with a diffusion-based power law distribution
Wei-Chen Chen and R. A. Marcus, J. Phys. Chem. C, 116, 15782-15789 (2012)



Bimolecular Recombination Reactions: Low Pressure Rates in Terms of Time-Dependent Survival Probabilities, Total J Phase Space Sampling of Trajectories, and Comparison with RRKM Theory
N. Ghaderi and R. A. Marcus, J. Phys. Chem. B, 115, 5625-5633 (2011)


Variables in the reduced rotational-orbital space, depicting the various action angle variables.



On the theory of organic catalysis “on water”
Y. Jung and R. A. Marcus, J. Amer. Chem. Soc. 129, 5492, (2007)



Strange and Unconventional Isotope Effects in Ozone Formation
Y. Q. Gao, R. A. Marcus, Science 293, 259-273 (2001)






California Institute of Technology
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