Physical Chemistry/Theoretical

The Loring Group develops statistical mechanical methods to study molecular motions and dynamical processes including reaction kinetics, transport, and spectroscopy.

Research The dynamics of molecules in condensed phases control phenomena ranging from biological processes to the course of liquid phase chemical reactions to the mechanical properties of materials. Our group develops theoretical methods for interpreting and predicting the motions of both small molecules and macromolecules in the liquid state. A principal research area is the development of semiclassical approximations to quantum mechanics that can be applied to the interpretation of multidimensional infrared spectroscopy of biomolecules.

Alemi, M. ; Loring, R. F. "Vibrational coherence and energy transfer in two-dimensional spectra with the optimized mean-trajectory approximation," submitted for publication, 2015.

Alemi, M. ; Loring, R. F. "Two-dimensional vibrational spectroscopy of a dissipative system with the optimized mean-trajectory approximation," J. Phys. Chem. B 2014, dx.doi.org/10.1021/jp5076884.

Lekkala, S.; Marohn, J. A.; Loring, R. F. " Electric force microscopy of semiconductors: cantilever frequency fluctuations and noncontact friction," J. Chem. Phys. 2013, 139, 184702.

Ochoa, M. A.; Chen, P.; Loring, R. F. " Single turnover measurements of nanoparticle catalysis analyzed with dwell time correlation functions and constrained mean dwell times," J. Phys. Chem. C 2013, 117, 19074-19081.

Gerace, M.; Loring, R. F. "Two-dimensional spectroscopy of coupled vibrations with the optimized mean-trajectory approximation," J. Phys. Chem. B 2013, 117, 15452-15461.

Gerace, M.; Loring, R. F. "An optimized semiclassical approximation for vibrational response functions," J. Chem. Phys. 2013, 138, 124104.

Lekkala, S. ; Hoepker, N. ; Marohn, J. A. ; Loring, R. F. "Charge carrier dynamics and interactions in electric force microscopy, " J. Chem. Phys. 2012, 137, 124701.

Ochoa, M. A.; Zhou, X.; Chen, P.; Loring, R. F. "Interpreting single turnover catalysis measurements with constrained mean dwell times, " J. Chem. Phys., 2011, 135, 174509.

Hoepker, N. ; Lekkala, S.; Loring, R. F. ; Marohn, J. A. "Dielectric fluctuations over polymer films detected using an atomic force microscope, " J. Phys. Chem. B, 2011, 115, 14493-14500.

Gruenbaum, S. M.; Loring, R. F. "Semiclassical quantization in Liouville space for vibrational dynamics," J. Phys. Chem. B, 2011, 115, 5148–5156.

Bagchi, S.; Nebgen, B. T.; Loring, R. F.; Fayer, M. D. "Dynamics of a Myoglobin Mutant Enzyme: 2D IR Vibrational Echo Experiments and Simulations, J. Am. Chem. Soc. 2010, 132, 18367-18376.

Gruenbaum, S. M.; Loring, R. F. "Semiclassical nonlinear response functions for coupled anharmonic vibrations," J. Chem. Phys., 2009, 204504.

Yazdanian, S. M.; Hoepker, N.; Kuehn, S.; Loring, R. F. ; Marohn, J. A."Quantifying electric field gradient fluctuations over polymers using ultrasensitive cantilevers," Nano Lett., 2009, 9, 2273-2279.

Gruenbaum S.M.; Loring, R. F. “Semiclassical Mean-Trajectory Approximation for Nonlinear Spectroscopic Response Functions,” J. Chem. Phys., 2008,129, 124508.

Yazdanian, S. M.; Marohn, J. A.; Loring, R. F. "Dielectric fluctuations in force microscopy: Noncontact friction and frequency jitter," J. Chem. Phys. 2008, 128, 224706.

Gruenbaum, S. M.; Loring, R. F.; "Interference and quantization in semiclassical response functions," J. Chem. Phys. 2008, 128, 124106.

Goj, A.; Loring, R. F.; Comment on "Ultrafast dynamics of myoglobin without the distal histidine: vibrational echo experiments and molecular dynamics simulations," J. Phys. Chem. B, 2007, 111, 12938.

Goj, A.; Loring, R. F.; Dephasing Dynamics in Confined Myoglobin, Chem. Phys., 2007, 341, 37.

Kuehn, S.; Marohn, J. A.; Loring, R. F.; Noncontact Dielectric Friction, J. Phys. Chem. B, 2006, 110, 14525.

Goj, A. ; Loring, R. F.; Effect of Noise on the Classical and Quantum Mechanical Nonlinear Response of Resonantly Coupled Anharmonic Oscillators, J. Chem. Phys., 2006, 194101.