T.J. Pickett and R.B. Shirts, "Semiclassical Quantization of Vibrational Systems Using Fast Fourier Transform Methods: Application to HDO Stretches," J. Chem. Phys., 94, 6036-6046 (1991).

B.G. Dibble and R.B. Shirts, "Theoretical Prediction of Ultrahigh Vibrational Excitation Using Infrared Picosecond Pulse Trains: Coherent Absorption of Several Photons Each of a Different Frequency," J. Chem. Phys., 94, 3451-3467 (1991).

K. Sohlberg and R.B. Shirts, "Semiclassical Quantization of a Nonintegrable System: Pushing the Fourier Method Into the Chaotic Regime," J. Chem. Phys., 101, 7763-7778 (1994).

R.B. Shirts and L.D. Stolworthy, "Conformational Sensitivity of Polyether Macrocycles to Electrostatic Potential: Partial Atomic Charges, Molecular Mechanics, and Conformational Predictions," J. Inclusion Phenom., 20, 297-321 (1995).

R.B. Shirts and M.R. Shirts, "Deviations from the Boltzmann distribution in small microcanonical quantum systems: Two approximate one-particle energy distributions," J. Chem. Phys. 117, 5564-5572 (2002).

R. B. Shirts, S. R. Burt and A. M. Johnson, "Periodic boundary condition induced breakdown of the equipartition principle and other kinetic effects of finite sample size in classical hard-phere molecular dynamics simulation," J. Chem. Phys. 125, 164102 (2006).