Publications

  • Skodje, R. T. Three is the magic number. Nature Chemistry9, 1038 (2017).
  • Bai, S. & Skodje, R. T. Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways. J. Phys. Chem. Lett.8, 3826–3833 (2017).
  • Church, J. R. & Skodje, R. T. Reaction Kinetics of HBr with HO2: A New Channel for Isotope Scrambling Reactions. J. Phys. Chem. A120, 8503–8511 (2016)
  • Bai, S. & Skodje, R. T. The sum over histories representation for chemical kinetics: a quantitative theory based on chemical pathways. International Reviews in Physical Chemistry35, 539–567 (2016).
  • Bai, S., Davis, M. J. & Skodje, R. T. Sum over Histories Representation for Kinetic Sensitivity Analysis: How Chemical Pathways Change When Reaction Rate Coefficients Are Varied. The Journal of Physical Chemistry A119, 11039–11052 (2015).
  • Bai, S., Zhou, D., Davis, M. J. & Skodje, R. T. Sum over Histories Representation for Chemical Kinetics. J. Phys. Chem. Lett.6, 183–188 (2015).
  • Kramer, Z. C., Gu, X.-K., Zhou, D. D. Y., Li, W.-X. & Skodje, R. T. Following Molecules through Reactive Networks: Surface Catalyzed Decomposition of Methanol on Pd(111), Pt(111), and Ni(111). J. Phys. Chem. C118, 12364–12383 (2014).
  • Kramer, Z. C. & Skodje, R. T. A semiclassical adiabatic calculation of state densities for molecules exhibiting torsion: application to hydrogen peroxide and its isotopomers. Theoretical Chemistry Accounts133, 1530 (2014).
  • Kramer, Z. C. & Skodje, R. T. Adiabatic Treatment of Torsional Anharmonicity and Mode Coupling in Molecular Partition Functions and Statistical Rate Coefficients: Application to Hydrogen Peroxide. in Reaction Rate Constant Computations 133–153 (2013).
  • Som, S. et al. Quantum Tunneling Affects Engine Performance. J. Phys. Chem. Lett.4, 2021–2025 (2013).
  • Zhou, D. D. Y., Davis, M. J. & Skodje, R. T. Multitarget Global Sensitivity Analysis of n-Butanol Combustion. J. Phys. Chem. A117, 3569–3584 (2013).
  • Takahashi, K., Hayes, M. Y. & Skodje, R. T. A study of resonance progressions in the F + HCl → Cl + HF reaction: A lifetime matrix analysis of pre-reactive and post-reactive collision complexes. The Journal of Chemical Physics138, 024309 (2013).
  • Skodje, R. T. Chapter 3. Reactive intermediates with large amplitude degrees of freedom. in Chemical Modelling (eds. Springborg, M. & Joswig, J.-O.) 10, 64–101 (Royal Society of Chemistry, 2013).
  • Wang, C., Zhang, D. H. & Skodje, R. T. A six-dimensional wave packet study of the vibrational overtone induced decomposition of hydrogen peroxide. The Journal of Chemical Physics136, 164314 (2012).
  • Kramer, Z. C., Takahashi, K., Vaida, V. & Skodje, R. T. Will water act as a photocatalyst for cluster phase chemical reactions? Vibrational overtone-induced dehydration reaction of methanediol. The Journal of Chemical Physics136, 164302 (2012).
  • Zhou, D. D. Y. et al. Theoretical Determination of the Rate Coefficient for the HO2 + HO2 → H2O2+O2 Reaction: Adiabatic Treatment of Anharmonic Torsional Effects. J. Phys. Chem. A116, 2089–2100 (2012).
  • Skodje, R. T. Resonances in Bimolecular Chemical Reactions. in Advances in Quantum Chemistry63, 119–163 (Elsevier, 2012).
  • Davis, M. J., Skodje, R. T. & Tomlin, A. S. Global Sensitivity Analysis of Chemical-Kinetic Reaction Mechanisms: Construction and Deconstruction of the Probability Density Function. J. Phys. Chem. A115, 1556–1578 (2011).
  • Klippenstein, S. J., Harding, L. B., Davis, M. J., Tomlin, A. S. & Skodje, R. T. Uncertainty driven theoretical kinetics studies for CH3OH ignition: HO2+CH3OH and O2+CH3OH. Proceedings of the Combustion Institute33, 351–357 (2011).
  • Kramer, Z. C., Takahashi, K. & Skodje, R. T. Water Catalysis and Anticatalysis in Photochemical Reactions: Observation of a Delayed Threshold Effect in the Reaction Quantum Yield. J. Am. Chem. Soc.132, 15154–15157 (2010).
  • Skodje, R. T., Tomlin, A. S., Klippenstein, S. J., Harding, L. B. & Davis, M. J. Theoretical Validation of Chemical Kinetic Mechanisms: Combustion of Methanol. J. Phys. Chem. A114, 8286–8301 (2010).
  • Takahashi, K. et al. Dynamics and spectroscopy of vibrational overtone excited glyoxylic acid and 2,2-dihydroxyacetic acid in the gas-phase. The Journal of Chemical Physics132, 094305 (2010).
  • Plath, K. L., Takahashi, K., Skodje, R. T. & Vaida, V. Fundamental and Overtone Vibrational Spectra of Gas-Phase Pyruvic Acid. J. Phys. Chem. A113, 7294–7303 (2009).
  • Schneider, H., Takahashi, K., Skodje, R. T. & Weber, J. M. Infrared spectra of SF6−⋅HCOOH⋅Arn (n=0–2): Infrared triggered reaction and Ar-induced reactive inhibition. The Journal of Chemical Physics130, 174302 (2009).
  • Plath, K. L. et al. Gas-phase vibrational spectra of glyoxylic acid and its gem diol monohydrate. Implications for atmospheric chemistry. Reaction Kinetics and Catalysis Letters96, 209–224 (2009).
  • Dunn, M. E., Shields, G. C., Takahashi, K., Skodje, R. T. & Vaida, V. Experimental and Theoretical Study of the OH Vibrational Spectra and Overtone Chemistry of Gas-Phase Vinylacetic Acid. J. Phys. Chem. A112, 10226–10235 (2008).
  • Takahashi, K., Plath, K. L., Skodje, R. T. & Vaida, V. Dynamics of Vibrational Overtone Excited Pyruvic Acid in the Gas Phase: Line Broadening through Hydrogen-Atom Chattering. J. Phys. Chem. A112, 7321–7331 (2008).
  • Hayes, M. Y. & Skodje, R. T. Dynamics of the Rydberg electron in H*+D2→D*+HD reactive collisions. The Journal of Chemical Physics126, 104306 (2007).
  • Gustafsson, M. & Skodje, R. T. Probing stereodynamics in reactive collisions using helicity filtering. Chemical Physics Letters434, 20–24 (2007).
  • Takahashi, K., Kramer, Z. C., Vaida, V. & Skodje, R. T. Vibrational overtone induced elimination reactions within hydrogen-bonded molecular clusters: the dynamics of water catalyzed reactions in CH2FOH[middle dot](H2O)n. Phys. Chem. Chem. Phys.9, 3864–3871 (2007).
  • Song, H., Wang, X., Skodje, R. T. & Yang, X. Quasi-classical Trajectory Study on the H++H2 Reaction. Chinese Journal of Chemical Physics19, 375–378 (2006).
  • Gustafsson, M. et al. Observing the stereodynamics of chemical reactions using randomly oriented molecular beams. The Journal of Chemical Physics124, 241105 (2006).
  • Deskevich, M. P., Hayes, M. Y., Takahashi, K., Skodje, R. T. & Nesbitt, D. J. Multireference configuration interaction calculations for the F(P2)+HCl→HF+Cl(P2) reaction: A correlation scaled ground state (1A′2) potential energy surface. The Journal of Chemical Physics124, 224303 (2006).
  • Havey, D. K., Feierabend, K. J., Takahashi, K., Skodje, R. T. & Vaida, V. Experimental and Theoretical Investigation of Vibrational Overtones of Glycolic Acid and Its Hydrogen Bonding Interactions with Water. J. Phys. Chem. A110, 6439–6446 (2006).
  • Gustafsson, M. & Skodje, R. T. The state-to-state-to-state model for direct chemical reactions: Application to D+H2→HD+H. The Journal of Chemical Physics124, 144311 (2006).
  • Zhang, J. et al. State to State to State Dynamics of the D+H2→HD+H Reaction: Control of Transition-State Pathways via Reagent Orientation. Phys. Rev. Lett.96, 093201 (2006).
  • Hayes, M. Y., Deskevich, M. P., Nesbitt, D. J., Takahashi, K. & Skodje, R. T. A Simple Picture for the Rotational Enhancement of the Rate for the F + HCl → HF + Cl Reaction:  A Dynamical Study Using a New ab initio Potential Energy Surface. J. Phys. Chem. A110, 436–444 (2006).
  • Song, H. et al. Chemical reaction dynamics of Rydberg atoms with neutral molecules: A comparison of molecular-beam and classical trajectory results for the H(n)+D2→HD+D(n′) reaction. The Journal of Chemical Physics123, 074314 (2005).
  • Tsai, C.-S., Wang, J.-K., Skodje, R. T. & Lin, J.-C. A Single Molecule View of Bistilbene Photoisomerization on a Surface Using Scanning Tunneling Microscopy. J. Am. Chem. Soc.127, 10788–10789 (2005).
  • Dai, D. et al. State-to-State Dynamics of High-n Rydberg H-Atom Scattering with D2. Phys. Rev. Lett.95, 013201 (2005).
  • Hayes, M., Gustafsson, M., Mebel, A. M. & Skodje, R. T. An improved potential energy surface for the F+H2 reaction. Chemical Physics308, 259–266 (2005).
  • Chao, S. D. & Skodje, R. T. THE EFFECT OF REACTIVE RESONANCE ON COLLISION OBSERVABLES. in Modern Trends in Chemical Reaction DynamicsVolume 14, 43–85 (WORLD SCIENTIFIC, 2004).
  • Skodje, R. T. & Yang, X. The observation of quantum bottleneck states. International Reviews in Physical Chemistry23, 253–287 (2004).
  • Brunelli, D. N. & Skodje, R. T. Coarsening of multicomponent thin films. Phys. Rev. B69, 075406 (2004).
  • Brunelli, D. N. & Skodje, R. T. Kinetics of Multicomponent Nanosize Clusters on Solid Surfaces. Langmuir19, 7130–7140 (2003).
  • Chao, S. D. & Skodje, R. T. Time delay as a tool to identify the signatures of reactive resonance: F+HD and F+H2 reactions. The Journal of Chemical Physics119, 1462–1472 (2003).
  • Dai, D. et al. Interference of Quantized Transition-State Pathways in the H + D2 → D + HD Chemical Reaction. Science300, 1730 (2003).
  • Der Chao, S. & Skodje, R. T. Signatures of reactive resonance: three case studies. Theoretical Chemistry Accounts108, 273–285 (2002).
  • Chao, S. D. et al. A fully state- and angle-resolved study of the H+HD→D+H2 reaction: Comparison of a molecular beam experiment to ab initio quantum reaction dynamics. The Journal of Chemical Physics117, 8341–8361 (2002).
  • Harich, S. A. et al. Forward scattering due to slow-down of the intermediate in the H + HD → D + H2 reaction. Nature419, 281 (2002).
  • Harich, S. A., Dai, D., Yang, X., Chao, S. D. & Skodje, R. T. State-to-state dynamics of H+HD→H2+D at 0.5 eV: A combined theoretical and experimental study. The Journal of Chemical Physics116, 4769–4772 (2002).
  • Ho, T.-S. et al. A globally smooth ab initio potential surface of the 1 A′ state for the reaction S(1D)+H2. The Journal of Chemical Physics116, 4124–4134 (2002).
  • Liu, K., Skodje, R. T. & Manolopoulos, D. E. Resonances in bimolecular reactions. PhysChemComm5, 27–33 (2002).
  • Skodje, R. T. & Davis, M. J. Geometrical Simplification of Complex Kinetic Systems. J. Phys. Chem. A105, 10356–10365 (2001).
  • Zyubin, A. S., Mebel, A. M., Der Chao, S. & Skodje, R. T. Reaction dynamics of S (1 D)+ H 2/D 2 on a new ab initio potential surface. The Journal of Chemical Physics114, 320–330 (2001).
  • Goss, L. M., Vaida, V., Brault, J. W. & Skodje, R. T. Sequential two-photon dissociation of atmospheric water. The Journal of Physical Chemistry A105, 70–75 (2001).
  • Der Chao, S. & Skodje, R. T. The search for resonance signatures in H+ D 2 reaction dynamics. Chemical physics letters336, 364–370 (2001).
  • Davis, M. J. & Skodje, R. T. Geometric approach to multiple-time-scale kinetics: A nonlinear master equation describing vibration-to-vibration relaxation. (2001).
  • Chao, S. D. & Skodje, R. T. Quasi-classical trajectory studies of the insertion reactions S (1D)+ H2, HD, and D2. The Journal of Physical Chemistry A105, 2474–2484 (2001).
  • Skodje, R. T. et al. Resonance-Mediated Chemical Reaction: F+ H D→ H F+ D. Physical Review Letters85, 1206 (2000).
  • Skodje, R. T. et al. Observation of a transition state resonance in the integral cross section of the F+ HD reaction. The Journal of Chemical Physics112, 4536–4552 (2000).
  • Lo, A. & Skodje, R. T. Kinetic and Monte Carlo models of thin film coarsening: Cross over from diffusion-coalescence to Ostwald growth modes. The Journal of Chemical Physics112, 1966–1974 (2000).
  • Subramanian, V. & Skodje, R. T. Characterization of selective adsorption resonances for helium scattering from a highly corrugated surface using quantum wave packet dynamics. The Journal of chemical physics111, 5167–5180 (1999).
  • Skodje, R. T., Sadeghi, R. & Krause, J. L. Control of transition state spectra: a variational algorithm. Chemical physics240, 129–139 (1999).
  • Lo, A. & Skodje, R. T. Diffusion and evaporation kinetics of large islands and vacancies on surfaces. The Journal of chemical physics111, 2726–2734 (1999).
  • Davis, M. J. & Skodje, R. T. Geometric investigation of low-dimensional manifolds in systems approaching equilibrium. The Journal of chemical physics111, 859–874 (1999).
  • Skodje, R. T., Sadeghi, R. & Krause, J. L. Quantum dynamics at the transition state Spectral quantization and spectral control theory applied to the FH 2-photodetachment process. Journal of the Chemical Society, Faraday Transactions93, 765–772 (1997).
  • Sholl, D. S., Fichthorn, K. A. & Skodje, R. T. Influence of cluster diffusion on the coarsening of Xe films on Pt (111). Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films15, 1275–1279 (1997).
  • Sadeghi, R. R., Gwaltney, S. R., Krause, J. L., Skodje, R. T. & Weber, P. M. Structure and dynamics of the S 3 state of CS 2. The Journal of chemical physics107, 6570–6576 (1997).
  • Rorak, S. E., Lo, A., Skodje, R. T. & Rowlen, K. L. Changes in thin-metal-film nanostructure at near-ambient temperatures. in (ACS Publications, 1997).
  • Sholl, D. S. & Skodje, R. T. Late-stage coarsening of adlayers by dynamic cluster coalescence. Physica A: Statistical Mechanics and its Applications231, 631–647 (1996).
  • Sholl, D. S. & Skodje, R. T. Exact solutions of the monomer-monomer reaction: Segregation, poisoning, and interface evolution. Physical Review E53, 335 (1996).
  • Sholl, D. S. & Skodje, R. T. A model surface reaction on stepped surfaces. Surface science345, 173–184 (1996).
  • Semin, D. J., Lo, A., Roark, S. E., Skodje, R. T. & Rowlen, K. L. Time‐dependent morphology changes in thin silver films on mica: A scaling analysis of atomic force microscopy results. The Journal of chemical physics105, 5542–5551 (1996).
  • Sadeghi, R. & Skodje, R. T. Control of transition state spectra: Enhancement of diffuse structure in the photodissociation spectrum of CO2. The Journal of chemical physics105, 7504–7516 (1996).
  • Brown, D. E., Sholl, D. S., Skodje, R. T. & George, S. M. Surface diffusion of H and CO on Cu/Ru (001): evidence for long-range trapping by copper islands. Chemical physics205, 23–36 (1996).
  • Sholl, D. S. & Skodje, R. T. Kinetic phase transitions and bistability in a model surface reaction II. Spatially inhomogeneous theories. Surface science334, 305–317 (1995).
  • Sholl, D. S. & Skodje, R. T. Kinetic phase transitions and bistability in a model surface reaction I. Monte Carlo simulations. Surface science334, 295–304 (1995).
  • Sholl, D. S. & Skodje, R. T. Diffusion of clusters of atoms and vacancies on surfaces and the dynamics of diffusion-driven coarsening. Physical review letters75, 3158 (1995).
  • Sadeghi, R. & Skodje, R. T. Spectroscopy of potential barriers: An analytic line-shape formula for broad resonances. Physical Review A52, 1996 (1995).
  • Sadeghi, R. & Skodje, R. T. Barriers, thresholds, and resonances: Spectral quantization of the transition state for the collinear D+ H2 reaction. The Journal of chemical physics102, 193–213 (1995).
  • Roark, S. E., Semin, D. J., Lo, A., Skodje, R. T. & Rowlen, K. L. Solvent-induced morphology changes in thin silver films. Analytica chimica acta307, 341–353 (1995).
  • Skodje, R. T., Sadeghi, R., Köppel, H. & Krause, J. L. Spectral quantization of transition state dynamics for the three‐dimensional H+ H2 reaction. The Journal of chemical physics101, 1725–1729 (1994).
  • Sholl, D. S. & Skodje, R. T. Diffusion of xenon on a platinum surface: the influence of correlated flights. Physica D: Nonlinear Phenomena71, 168–184 (1994).
  • Sholl, D. S. & Skodje, R. T. Comment on ‘“A theoretical stochastic model for the A+ 1/2 B 2→ O reaction”’[J. Chem. Phys. 9 8, 10017 (1993)]. The Journal of chemical physics101, 855–856 (1994).
  • Skodje, R. T. The adiabatic theory of heavy-light-heavy chemical reactions. Annual Review of Physical Chemistry44, 145–172 (1993).
  • Sadeghi, R. & Skodje, R. T. Spectral quantization of high energy transition state resonances in the H+ H2 reaction. The Journal of chemical physics99, 5126–5140 (1993).
  • Sadeghi, R. & Skodje, R. T. High energy transition state resonances in the H+ H2 reaction. The Journal of chemical physics98, 9208–9210 (1993).
  • Grayce, B. B., Skodje, R. T. & Hutson, J. M. Physical origin of oscillations in the three‐dimensional collision amplitudes of heavy–light–heavy systems. Semiclassical quantization of chaotic scattering. The Journal of chemical physics98, 3929–3944 (1993).
  • Grayce, B. B. & Skodje, R. T. Heavy-light-heavy reaction probabilities from rotational scattering calculations. The Journal of Physical Chemistry96, 4134–4137 (1992).
  • Davis, M. J. & Skodje, R. T. Chemical reactions as problems in nonlinear dynamics. Advances in Classical Trajectory Methods3, 77 (1992).
  • Spina, A. & Skodje, R. T. The phase-space hydrodynamic model for the quantum standard map. Computer Physics Communications63, 279–305 (1991).
  • Skodje, R. T. Adiabatic separatrix crossing theory for heavy–light–heavy chemical reactions in three dimensions. The Journal of chemical physics95, 7234–7248 (1991).
  • Grayce, B. B. & Skodje, R. T. Quantum resonance dynamics for the I+ HI reaction in three dimensions: An adiabatic treatment using Jacobi coordinates. The Journal of chemical physics95, 7249–7262 (1991).
  • Skodje, R. T. & Spina, A. Gaussian wave packets as probes of the destabilization of phase-space structure in the quantum standard map. Physical Review A42, 6252 (1990).
  • Skodje, R. T. & Davis, M. J. Statistical rate theory for transient chemical species: Classical lifetimes from periodic orbits. Chemical physics letters175, 92–100 (1990).
  • Skodje, R. T., Rohrs, H. W. & VanBuskirk, J. Flux analysis, the correspondence principle, and the structure of quantum phase space. Physical Review A40, 2894 (1989).
  • Skodje, R. T. Uniform adiabatic invariance analysis of chemical reaction dynamics. The Journal of Chemical Physics90, 6193–6212 (1989).
  • Cary, J. R. & Skodje, R. T. Phase change between separatrix crossings. Physica D: Nonlinear Phenomena36, 287–316 (1989).
  • Skodje, R. T. & Davis, M. J. A phase space analysis of the collinear I+ HI reaction. The Journal of Chemical Physics88, 2429–2456 (1988).
  • Skodje, R. T. & Cary, J. R. An analysis of the adiabatic switching method: Foundations and applications. Computer Physics Reports8, 221–292 (1988).
  • Cary, J. R. & Skodje, R. T. Reaction probability for sequential separatrix crossings. Physical review letters61, 1795 (1988).
  • Cary, J. R., Rusu, P. & Skodje, R. T. Quantum effects in a macroscopic system. Physical review letters58, 292 (1987).
  • Cary, J. R., Rusu, P. & Skodje, R. T. Quantum analysis of states near a separatrix. in The Physics of Phase Space Nonlinear Dynamics and Chaos Geometric Quantization, and Wigner Function 137–139 (Springer, 1987).
  • Cary, J. R., Rusu, P. & Skodje, R. T. Cary, Rusu, and Skodje reply. Physical review letters59, 943 (1987).
  • Skodje, R. T. & Borondo, F. The adiabatic switching of semiclassical wave functions. The Journal of chemical physics85, 2760–2773 (1986).
  • Skodje, R. T., Borondo, F. & Reinhardt, W. P. The semiclassical quantization of nonseparable systems using the method of adiabatic switching. The Journal of chemical physics82, 4611–4632 (1985).
  • Skodje, R. T. & Borondo, F. A numerical method for the transformation to good action-angle variables in non-separable multidimensional systems. Chemical physics letters118, 409–413 (1985).
  • Skodje, R. T. & Truhlar, D. G. Localized Gaussian wave packet methods for inelastic collisions involving anharmonic oscillators. The Journal of chemical physics80, 3123–3136 (1984).
  • Skodje, R. T., Schwenke, D. W., Truhlar, D. G. & Garrett, B. C. Reaction-path Hamiltonian model of partial widths for vibrationally elastic and inelastic decay of adiabatically trapped reactive resonances. The Journal of Physical Chemistry88, 628–636 (1984).
  • Skodje, R. T., Schwenke, D. W., Truhlar, D. G. & Garrett, B. C. Calculation of partial widths and isotope effects for reactive resonances by a reaction‐path Hamiltonian model: Test against accurate quantal results for a twin‐saddle point system. The Journal of chemical physics80, 3569–3573 (1984).
  • Skodje, R. T. On the use of the interaction picture in classical mechanics. Chemical physics letters109, 221–226 (1984).
  • Skodje, R. T. Gaussian wave packet dynamics expressed in the classical interaction picture. Chemical physics letters109, 227–232 (1984).
  • Skodje, R. T. Gaussian wave packet dynamics expressed in the classical interaction picture. Chemical physics letters109, 227–232 (1984).
  • Johnson, B. R., Skodje, R. T. & Reinhardt, W. P. Vibrational stretch—bend coupling and the adiabatic approximation. Chemical physics letters112, 396–402 (1984).
  • Hedges Jr, R. M., Skodje, R. T., Borondo, F. & Reinhardt, W. P. Classical, Semiclassical, and Quantum Dynamics of Long-Lived Highly Excited Vibrational States of Triatoms. in (ACS Publications, 1984).
  • Garrett, B. C. et al. Bimolecular Reactive Collisions: Adiabatic and Nonadiabatic Methods for Energies, Lifetimes, and Branching Probabilities. in (ACS Publications, 1984).
  • Skodje, R. T. & Truhlar, D. G. Small‐curvature adiabatic approximation for reaction‐path reduced‐dimensionality effective Hamiltonian. The Journal of chemical physics79, 4882–4888 (1983).
  • Skodje, R. T., Gentry, W. R. & Giese, C. F. Quantum vibrational transition probabilities from real classical trajectories: Asymmetric diatom-diatom collisions. Chemical Physics74, 347–364 (1983).
  • Truhlar, D. G., Isaacson, A. D., Skodje, R. T. & Garrett, B. C. Incorporation of quantum effects in generalized-transition-state theory. The Journal of Physical Chemistry86, 2252–2261 (1982).
  • Skodje, R. T., Truhlar, D. G. & Garrett, B. C. Vibrationally adiabatic models for reactive tunneling. The Journal of Chemical Physics77, 5955–5976 (1982).
  • Skodje, R. T., Truhlar, D. G. & Garrett, B. C. A general small-curvature approximation for transition-state-theory transmission coefficients. The Journal of Physical Chemistry85, 3019–3023 (1981).
  • Skodje, R. T. & Truhlar, D. G. Parabolic tunneling calculations. The Journal of Physical Chemistry85, 624–628 (1981).
  • Skodje, R. T., Gentry, W. R. & Giese, C. F. Quantum vibrational transition probabilities from real classical trajectories: Symmetric diatom–diatom collisions. The Journal of Chemical Physics66, 160–168 (1977).
  • Skodje, R. T., Gentry, W. R. & Giese, C. F. On the use of the sudden approximation for vibrational excitation in high‐energy collisions, and the sensitivity of the results to the choice of potential energy surface. The Journal of Chemical Physics65, 5532–5533 (1976).