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217. W. H. Miller, Y.-T. Chang, and N. Makri, Some New Theoretical Methods for Treating Reaction Dynamics in Polyatomic Molecular Systems, in Computational Advances in Organic Chemistry: Molecular Structure and Reactivity, eds. C. Ögretir and I. G. Csizmadia, Kluwer, pp. 289-302 (1991).
218. J. Z. H. Zhang and W. H. Miller, Photodissociation and Continuum Resonance Raman Cross Sections, and General Franck-Condon Intensities, from S-Matrix Kohn Scattering Calculations, with Application to the Photoelectron Spectrum of H₂F^- + hν→ H₂ + F, HF + H + e^-, J. Chem. Phys. 92, 1811-1818 (1990).
219. G. A. Voth, D. Chandler, and W. H. Miller, A New Perspective on Quantum Mechanical Transition State Theory, in Quantum Simulations of Condensed Matter Phenomena, eds. J. J. D. Dolland and J. E. Gubernatis, World Scientific Press, pp. 391-400 (1990).
220. W. F. Polik, D. R. Guyer, W. H. Miller, and C. B. Moore, Eigenstate-resolved Unimolecular Reaction Dynamics:  Ergodic Character of S₀ Formaldehyde at the Dissociation Threshold, J. Chem. Phys. 92, 3471-3484 (1990).
221. Z. J. H. Zhang and W. H. Miller, Quasi-Adiabatic Basis Functions for the S-Matrix Kohn Variational Approach to Quantum Reactive Scattering, J. Phys. Chem. 94, 7785-7789 (1990).
222. S. M. Auerbach, J. Z. H. Zhang, and W. H. Miller, Comparison of Quantum Scattering Calculations for the H + H₂ Reaction using the LSTH and DMBE Potentials, J. Chem. Soc. Faraday Trans. 86, 1701-1704 (1990).
223. M. Moreno and W. H. Miller, On the Tautomerizatium Reaction 2-Pyridone ↔ 2-Hydroxypyridine:  An Ab Initio Study, Chem. Phys. Lett. 171, 475-479 (1990).
224. W. H. Miller, Quantum Mechanical Reactive Scattering Theory for Simple Chemical Reactions:  Recent Developments in Methodology and Applications, AIP Conference Proceedings 205, The Physics of Electronic and Atomic Collisions, pp. 442-450 (1990).
225. Y.-T. Chang and W. H. Miller, An Empirical Valence Bond Model for Constructing Global Potential Energy Surfaces for Chemical Reactions of Polyatomic Molecular Systems, J. Phys. Chem. 94, 5884-5888 (1990).
226. W. H. Miller, Recent Advances in Quantum Mechanical Reactive Scattering Theory, Including Comparison of Recent Experiments with Rigorous Calculations of State-to-State Cross Section for the H/D + H₂→ H₂/HD + H Reaction, Ann. Rev. Phys. Chem. 41, 245-281 (1990).
227. R. E. Continetti, J. Z. H. Zhang and W.H. Miller, Comment on:  Resonance Structure in the Energy-Dependence of State-to-State Differential Scattering Cross Section for the D + H₂(v,j) → HD(v',j') + H Reaction, J. Chem. Phys. 93, 5356-5357 (1990).
228. W. H. Miller, R. Hernandez, N. C. Handy, D. Jayatilaka, and A. Willetts, Ab Initio Calculation of Anharmonic Constants for a Transition State, with Application to Semiclassical Transition State Tunneling Probabilities, Chem. Phys. Lett. 172, 62-68 (1990).
229. W. H. Miller, R. Hernandez, C. B. Moore, and W. F. Polik, A Transition State Theory-Based Statistical Distribution of Unimolecular Decay Rates, with Application to Unimolecular Decomposition of Formaldehyde, J. Chem. Phys. 93, 5657-5666 (1990).
230. J. Z. H. Zhang, D. L. Yeager and W. H. Miller, 3D Quantum Reactive Scattering Calculations of the Reaction He + H₂⁺→ HeH⁺ + H for Total Angular Momentum J=0, Chem. Phys. Lett. 173, 489-495 (1990).
231. C. B. Moore, Q.-K. Zheng, Y. S. Choi, W. H. Green, S. K. Kim, A. J. Mahoney, W. H. Miller, C. D. Pibel, W. F. Polik and P. Teal, The High-Resolution Spectrosopy of Dissociating Molecules, Phil. Trans. Roy. Soc. Lond. Ser. A 332, 297-307 (1990).
232. W. H. Miller and J. Z. H. Zhang, How to Observe the Elusive Resonances in H or D + H₂→ H₂ or HD + H Reactive Scattering, J. Phys. Chem. 95, 12-19 (1991).
233. W. H. Miller, Some New Approaches to Semiclassical and Quantum Transition State Theory, Ber. Bunsenges Phys. Chem. 95, 389-393 (1991).
234. D. L. Yeager and W. H. Miller, Complex Log-Derivative Method for Non-Reactive Coupled-Channel Scattering Calculations, J. Phys. Chem. 95, 8212-8215 (1991).
235. T. Seideman and W. H. Miller, Transition State Theory, Siegert Eigenstates, and Quantum Mechanical Reaction Rates, J. Chem. Phys. 95, 1768-1780 (1991).
236. W. H. Miller, Comment on:  Semiclassical Time Evolution without Root Searches, J. Chem. Phys. 95, 9428-9430 (1991).
237. T. Uzer and W.H. Miller, Theories of Intramolecular Vibrational Energy Transfer, Phys. Rep. 199, 73-146 (1991).
238. J. Z. H. Zhang, W. H. Miller, A. Weaver and D. Neumark, Quantum Reactive Scattering Calculations of Franck-Condon Factors for the Photodetachment of H₂F^- and D₂F^- and Comparisons with Experiment, Chem. Phys. Lett. 182, 283-289 (1991).
239. R. A. Harris, C. J. Grayce, N. Makri and W. H. Miller, Comment on:  A Corrected Exponential Power Series Expansion of the Position Matrix Elements of the Time Evolution Operator for a System in the Presence of a Vector Potential, J. Chem. Phys. 94, 4682-4683 (1991).
240. W. H. Miller, Quantum Mechanical Scattering for Chemical Reactions, in Methods inComputational Molecular Physics, ed. S. Wilson and G. H. F. Diercksen, Plenum, N.Y., pp. 519-533 (1992).
241. Y. T. Chang, C. Minichino, and W. H. Miller, Classical Trajectory Studies of the Molecular Dissociation Dynamics of Formaldehyde: H₂CO → H₂ + CO, J. Chem. Phys. 96, 4341-4355 (1992).
242. W. H. Miller, Reaction Dynamics in Polyatomic Molecular Systems:  Some Approaches for Constructing Potential Energy Surfaces and Incorporating Quantum Effects in Classical Trajectory Simulations, in Molecular Aspects of Biotechnology:  Computational Models and Theories, ed. J. Bertran, Kluwer Academic Pub., pp. 193-235 (1992).
243. D. T. Colbert and W. H. Miller, A Novel Discrete Variable Representation (DVR) for Quantum Mechanical Reactive Scattering via the S-Matrix Kohn Method, J. Chem. Phys. 96, 1982-1991 (1992).
244. T. Seideman and W. H. Miller, Calculation of the Cumulative Reaction Probability via a Discrete Variable Representation with Absorbing Boundary Conditions, J. Chem. Phys. 96, 4412-4422 (1992).
245. M. J. Cohen, N. C. Handy, R. Hernandez, and W. H. Miller, Cumulative Reaction Probabilities for H + H₂→ H₂ + H from a Knowledge of the Anharmonic Force Field, Chem. Phys. Lett. 192, 407-416 (1992).
246. T. D. Sewell, D. L. Thompson, D. Gezelter, and W. H. Miller, Some Problems of Correcting the Zero-Point Energy Problem in Classical Trajectories, Chem. Phys. Lett. 193, 512-517 (1992).
247. T. Seideman and W. H. Miller, Quantum Mechanical Reaction Probabilities via a Discrete Variable Representation-Absorbing Boundary Condition Green’s Function, J. Chem. Phys. 97, 2499-2514 (1992).
248. W. H. Miller and T. Seideman, Cumulative and State-to-State Reaction Probabilities via a Discrete Variable Representation — Absorbing Boundary Condition Green’s Function, in Time Dependent Quantum Molecular Dynamics:  Experiments and Theory, ed. J. Broeckhove and L. Lathouwers, Plenum, N.Y., pp. 267-277 (1992).
249. G. Stock and W. H. Miller, A Classical Model for Time- and Frequency-Resolved Spectroscopy of Nonadiabatic Excited State Dynamics, Chem. Phys. Lett. 197, 396-404 (1992).
250. W. H. Miller, Beyond Transition State Theory — A Rigorous Quantum Theory of Chemical Reaction Rates, Accts. Chem. Res. 26, 174-181 (1993).
251. W. H. Miller, S-Matrix Version of the Kohn Variational Principle for Quantum Scattering Theory of Chemical Reactions, in Advances in Molecular Vibrations and Collision Dynamics:  Quantum Reactive Scattering, Vol. IIA, ed. J. M. Bowman, JAI Press, Greenwich, pp. 1-32 (1994).
252. S. Keshavamurthy and W. H. Miller, A Semiclassical Model to Incorporate Multidimensional Tunneling in Classical Trajectory Simulations Using Locally Conserved Actions, Chem. Phys. Lett. 205, 96-101 (1993).
253. P. Saalfrank and W. H. Miller, Time-Independent Quantum Dynamics for Diatom-Surface Scattering, J. Chem. Phys. 98, 9040-9052 (1993).
254. S. M. Auerbach and W. H. Miller, Quantum Mechanical Reaction Probabilities with a Power Series Green’s Function, J. Chem. Phys. 98, 6917-6928 (1993).
255. W. H. Thompson and W. H. Miller, State-Specific Reaction Probabilities from a DVR ABC Green’s Function, Chem. Phys. Lett. 206, 123-129 (1993).
256. R. Hernandez, W. H. Miller, C. B. Moore, and W. F. Polik, A Random Matrix/Transition State Theory for the Probability Distribution of State-Specific Unimolecular Decay Rates:  Generalization to Include Total Angular Momentum Conservation and Other Dynamical Symmetries, J. Chem. Phys. 99, 950-962 (1993).
257. G. Stock and W. H. Miller, Classical Formulation of the Spectroscopy of Non-Adiabatic Excited State Dynamics, J. Chem. Phys. 99, 1545-1555 (1993).
258. A. K. Belyaev, D. T. Colbert, G. C. Groenenboom, and W. H. Miller, State-to-State Reaction Probabilities for Processes in H^- + H₂, D₂ Collisions, Chem. Phys. Lett. 209, 309- 314 (1993).
259. U. Manthe and W. H. Miller, The Cumulative Reaction Probability as Eigenvalue Problem, J. Chem. Phys. 99, 3411-3419 (1993).
260. R. Hernandez and W. H. Miller, Semiclassical Transition State Theory — A New Perspective, Chem. Phys. Lett. 214, 129-136 (1993).
261. U. Manthe, T. Seideman, and W. H. Miller, Full Dimensional Quantum Mechanical Calculation of the Rate Constant for the H₂ + OH → H₂O + H Reaction, J. Chem. Phys. 99, 10078-10081 (1993).
262. C. Leforestier and W. H. Miller, Quantum Mechanical Calculations of the Rate Constant for the Reaction H + O₂→ OH + O, J. Chem. Phys. 100, 733-735 (1994).
263. P. Saalfrank and W. H. Miller, Quantum Mechanical Rates for Gas-Surface Processes, Surface Science 303, 206-230 (1994).
264. S. M. Auerbach and W. H. Miller, Efficient Polynomial Expansion of the Scattering Green’s Function:  Application to the D + H₂ (ν=1) Rate Constant, J. Chem. Phys. 100, 1103-1112 (1994).
265. S. Keshavamurthy and W. H. Miller, Semiclassical Correction for Quantum Mechanical Scattering, Chem. Phys. Lett. 218, 189-194 (1994).
266. W. H. Miller, Recent Developments in the Quantum Mechanical Theory of Chemical Reaction Rates, in New Trends inReaction Rate Theory, eds. P. Talkner and P. Hänggi, Kluwer Academic Pub., pp. 225-246 (1995).
267. U. Manthe, T. Seideman, and W. H. Miller, Quantum Mechanical Calculations of the Rate Constant for the H₂ + OH → H + H₂O Reaction:  Full Dimensional Results and Comparison to Reduced Dimensionality Problems, J. Chem. Phys. 101, 4759-4768 (1994).
268. W. H. Thompson and W. H. Miller, Initial State-Selected Reaction Probabilities for OH + H₂→ H + H₂O and Photodetachment Intensities for HOH₂^-, J. Chem. Phys. 101, 8620-8627 (1994).
269. U. Peskin, H. Reisler, and W. H. Miller, On the Relation between Unimolecular Reaction Rates and Overlapping Resonances, J. Chem. Phys. 101, 9672-9680 (1994).
270. G. J. Laming, N. C. Handy, and W. H. Miller, Comparison of the Gaussian and Bessel Exchange Functionals with the Hartree-Fock Exchange for Molecules, J. Phys. Chem. 99, 1880-1888 (1995).
271. U. Peskin and W. H. Miller, Reactive Scattering Theory for Molecular Transitions in Time Dependent Fields, J. Chem. Phys. 102, 4084-4092 (1995).
272. U. Peskin, W. H. Miller, H. Reisler, Final State-Selected Spectra in Unimolecular Reactions:  A Transition-State-Based Random Matrix Model for Overlapping Resonances, J. Chem. Phys. 102, 8874-8886 (1995).
273. W. H. Thompson and W. H. Miller, On the 'Direct' Calculation of Thermal Rate Constants, J. Chem. Phys. 102, 7409-7417 (1995).
274. W. H. Miller, Quantum Theory of Chemical Reaction Rates, in Proceedings of the Robert A. Welch Foundation, 38th Conference on Chemical Research, Chemical Dynamics of Transient Species, (Robert A. Welch Foundation, Houston, TX) pp. 17-27 (1994).
275. J. D. Gezelter and W. H. Miller, Resonant Features in the Energy Dependence of the Rate of Ketene Isomerization, J. Chem. Phys. 103, 7868-7876 (1995).
276. W. H. Miller, Beyond Transition State Theory:  Rigorous Quantum Approaches for Determining Chemical Reaction Rates, in Dynamics of Molecules and Chemical Reactions, eds. J. Zhang and R. Wyatt, Marcel Dekker, N.Y., pp. 387-410 (1995).
277. W. H. Miller, Quantum Mechanical Theory of Collisional Recombination Rates, J. Phys. Chem. 99, 12387-12390 (1995).
278. U. Peskin, A. Edlund, and W. H. Miller, Quantum Time Evolution in Time-Dependent Fields and Time-Independent Reactive-Scattering Calculations via an Efficient Fourier Grid Preconditioner, J. Chem. Phys. 103, 10030-10041 (1995).
279. W. H. Miller, Quantum Mechanical Theory of Collisional Recombination Rates.  Part II.  Beyond the Strong Collision Approximation, Faraday Disc. 102, 53-63 (1995).
280. W. H. Miller, Theoretical Overview of Chemical Dynamics, in Frontiers of Chemical Dynamics, ed. E. Yurtsever, NATO ASI Series, Vol. 470, pp. 1-20 (1995).
281. B. W. Spath and W. H. Miller, Semiclassical Calculation of Cumulative Reaction Probabilities, J. Chem. Phys. 104, 95-99 (1996).
282. L. Lehr and W. H. Miller, A Classical Approach to Dissociative Electron Attachment DA:  Application to Temperature Effects in the DA Cross Section of CF₃C, Chem. Phys. Lett. 250, 515-522 (1996).
283. J. D. Gezelter and W. H. Miller, Dynamics of the Photodissociation of Triplet Ketene, J. Chem. Phys. 104, 3546-3554 (1996).
284. V. A. Mandelshtam, H. S. Taylor, and W. H. Miller, Collisional Recombination Reaction H + O₂ + M → HO₂ + M.  Quantum Mechanical Study Using Filter Diagonalization, J. Chem. Phys. 105, 496-503 (1996).
285. W. H. Thompson, H. O. Karlsson, and W. H. Miller, Theoretical Calculation of Photodetachment Intensities for H₃O^-, J. Chem. Phys. 105, 5387-5396 (1996).
286. W. H. Miller, Comment on "Comparison of Positive Flux Operators for Transition State Theory Using a Solvable Model", J. Chem. Phys. 105, 6090 (1996).
287. B. W. Spath and W. H. Miller, Semiclassical Calculation of Franck-Condon Intensities for Reactive Systems, Chem. Phys. Lett. 262, 486-494 (1996).
288. W. H. Miller, Quantum and Semiclassical Theories of Chemical Reaction Rates, Adv. Chem. Phys. 101, 853-871 (1997).
289. L. Lehr, J. Manz and W. H. Miller, A Classical Approach to Resonant Low Energy Electron Scattering off Molecules:  Application to the a₁-Shape Resonance of CF₃Cl, Chem. Phys. 214, 301-312 (1997).
290. X. Sun and W. H. Miller, Mixed Semiclassical-Classical Approaches to the Dynamics of Complex Molecular Systems, J. Chem. Phys. 106, 916-927 (1997).
291. W. H. Thompson and W. H. Miller, On the 'Direct' Calculation of Thermal Rate Constants.  II.  The Flux-Flux Autocorrelation Function with Absorbing Potentials, with Application to the O + HCl   → OH + Cl Reaction, J. Chem. Phys. 106, 142-150 (1997); Erratum 107, 2164-2165 (1997).
292. B. Poirier and W. H. Miller, Optimized Preconditioners for Green Function Evaluation in Quantum Reactive Scattering Calculations, Chem. Phys. Lett. 265, 77-83 (1997).
293. W. H. Miller, Quantum and Semiclassical Green's Functions in Chemical Reaction Dynamics, J. Chem. Soc. Faraday Trans. 93, 685-690 (1997).
294. U. Peskin, H. Reisler, and W. H. Miller, Response to "Comment on 'On the Relation between Unimolecular Reaction Rates and Overlapping Resonances'", J. Chem. Phys. 106, 4812-4814 (1997).
295. X. Sun and W. H. Miller, Semiclassical Initial Value Representation for Electronically Non Adiabatic Molecular Dynamics, J. Chem. Phys. 106, 6346-6353 (1997).
296. T. C. Germann and W. H. Miller, Quantum Mechanical Pressure Dependent Reaction and Recombination Rates for OH + O → H + O₂, HO₂, J. Phys. Chem. A 101, 6358-6367 (1997).
297. I. Vorobeichik, N. Moiseyev, and W. H. Miller, On the Reflection Probability in Elastic Scattering Processes as obtained via the Absorbing Boundary Conditions — Discrete Variable Representation (ABC-DVR) Green's Function Formalism, Chem. Phys. Lett. 275, 491-493 (1997).
298. H. Wang, W. H. Thompson, and W. H. Miller, Thermal Rate Constant Using Flux-Flux Autocorrelation Functions:  Application to Cl + H2→ HCl + H Reaction, J. Chem. Phys. 107, 7194-7201 (1997).
299. V. S. Batista and W. H. Miller, Semiclassical Molecular Dynamics Simulations of Ultrafast Photodissociation Dynamics Associated with the Chappuis Band of Ozone, J. Chem. Phys. 108, 498-510 (1998).
300. W. H. Miller, "Direct" and "Correct" Calculation of Microcanonical and Canonical Rate Constants for Chemical Reactions, J. Phys. Chem. A 102, 793-806 (1998).
301. A. Viel, C. Leforestier, and W. H. Miller, Quantum Mechanical Calculation of the Rate Constant for the Reaction H + O₂→ OH + O, J. Chem. Phys. 108, 3489-3497 (1998).
302. W. H. Miller, Quantum Theory of Chemical Reaction Rates, in Encyclopedia of Computational Chemistry, ed. P. v. R. Schleyer, J. Wiley & Sons, Ltd., U.K., Vol. 4, pp. 2375-2380 (1998).
303. W. H. Miller, The Semiclassical Initial Value Representation for Including Quantum Effects in Molecular Dynamics Simulations, in Classical and Quantum Dynamics in Condensed Phase Simulations, ed. B. J. Berne, G. Ciccotti, and D. F. Coker, World Scientific, Singapore, pp. 617-627 (1998).
304. X. Sun and W. H. Miller, Semiclassical Initial Value Representation for Rotational Degrees of Freedom:  The Tunneling Dynamics of HCl Dimer, J. Chem. Phys. 108, 8870-8877 (1998).
305. W. H. Miller, Quantum Theory of Reactive Scattering and Chemical Reaction Rates, in Photonic, Electronic, and Atomic Collisions, ed. F. Aumayr and H. Winter, World Scientific, Singapore, pp. 441-451 (1998).
306. D. E. Skinner, T. C. Germann, and W. H. Miller, Quantum Mechanical Rate Constants for O + OH ↔ H + O₂ for Total Angular Momentum J > 0, J. Phys. Chem. A 102, 3828-3834 (1998).
307. H. Wang, W. H. Thompson, and W. H. Miller, 'Direct' Calculation of Thermal Rate Constants for the F + H₂→ HF + H Reaction, J. Phys. Chem. A 102, 9372-9379 (1998).
308. H. Wang, X. Sun, and W. H. Miller, Semiclassical Approximations for the Calculation of Thermal Rate Constants for Chemical Reactions in Complex Molecular Systems, J. Chem. Phys. 108, 9726-9736 (1998).
309. T. C. Germann and W. H. Miller, Quantum Mechanical Calculation of Resonance Tunneling in Acetylene Isomerization via the Vinylidene Intermediate, J. Chem. Phys. 109, 94-101 (1998).
310. X. Sun, H. Wang, and W. H. Miller, On the Semiclassical Description of Quantum Coherence in Thermal Rate Constants, J. Chem. Phys. 109, 4190-4200 (1998).
311. X. Sun, H. Wang, and W. H. Miller, Semiclassical Theory of Electronically Nonadiabatic Dynamics:  Results of a Linearized Approximation to the Initial Value Representation, J. Chem. Phys. 109, 7064-7074 (1998).
312. W. H. Miller, Quantum and Semiclassical Theory of Chemical Reaction Rates, Faraday Disc. Chem. Soc. 110, 1-21 (1998).
313. H. Wang, X. Song, D. Chandler and W. H. Miller, Semiclassical Study of Electronically Nonadiabatic Dynamics in the Condensed-Phase:  Spin-Boson Problem with Debye Spectral Density, J. Chem. Phys. 110, 4828-4840 (1999).
314. D. Skinner and W. H. Miller, Application of the Semiclassical Initial Value Representation and Its Linearized Approximation to Inelastic Scattering,” Chem. Phys. Lett. 300, 20-26 (1999).
315. V. S. Batista, M. T. Zanni, B. J. Greenblatt, D. M. Neumark and W. H. Miller, Femtosecond Photoelectron Spectroscopy of the I₂^- Anion:  A Semiclassical Molecular Dynamics Simulation Method, J. Chem. Phys. 110, 3736-3747 (1999).
316. M. T. Zanni, V. S. Batista, B. J. Greenblatt, W. H. Miller and D. M. Neumark, Femtosecond Photoelectron Spectroscopy of the I₂^- Anion:  Characterization of the Ã'²∏_g,_1/2 Excited State, J. Chem. Phys. 110, 3748-3755 (1999).
317. X. Sun and W. H. Miller, Forward-Backward Initial Value Representation for Semiclassical Time Correlation Functions, J. Chem. Phys. 110, 6635-6644 (1999).
318. V. Guallar, V. S. Batista and W. H. Miller, Semiclassical Molecular Dynamics Simulations of Excited State Double-Proton Transfer in 7-Azaindole Dimers, J. Chem. Phys. 110, 9922-9936 (1999).
319. H. Wang and W. H. Miller, Analytic Continuation of Real-Time Correlation Functions to Obtain Thermal Rate Constants for Chemical Reaction, Chem. Phys. Lett. 307, 463-468 (1999).
320. W. H. Miller, Generalization of the Linearized Approximation to the Semiclassical Initial Value Representation for Reactive Flux Correlation Functions, J. Phys. Chem. A 103, 9384-9387 (1999).
321. Y. Guo, D. L. Thompson and W. H. Miller, Thermal and Microcanonical Rates of Unimolecular Reactions from an Energy Diffusion Theory Approach, J. Phys. Chem. A 103, 10308-10311 (1999).
322. D. E. Skinner and W. H. Miller, Application of the Forward-Backward Initial Value Representation to Molecular Energy Transfer, J. Chem. Phys. 111, 10787-10793 (1999).