Book Chapters (PDF files)

Chapters in books

1. "Electron Impact Spectroscopy: Vibrational Rotational Excitation," S. Trajmar, J. K. Rice, A. Kuppermann, and D. G. Truhlar, in Advances in Chemical Physics, Vol. 18, edited by I. Prigogine and S. A. Rice (John Wiley and Sons, New York, 1970), pp. 70-83.

2. "Algebraic Variational Methods in Scattering Theory," D. G. Truhlar, J. Abdallah, Jr., and R. L. Smith, in Advances in Chemical Physics, Vol. 25, edited by I. Prigogine and S. A. Rice (John Wiley and Sons, New York, 1974), pp. 211-293. Available as PDF file

3. "Time Reversal Invariance, Representations for Scattering Wave Functions, Symmetry of the Scattering Matrix, and Differential Cross Sections," D. G. Truhlar, C. A. Mead, and M. A. Brandt, in Advances in Chemical Physics, Vol. 33, edited by I. Prigogine and S. A. Rice (John Wiley and Sons, New York, 1975), pp. 296-344. Available as PDF file

4. "Electron Scattering," D. G. Truhlar, in Semiempirical Methods of Electronic Structure Calculations, Part B: Applications, edited by G. A. Segal (Plenum Press, New York, 1977), pp. 247-288. [Mod. Theor. Chem. 8, 247-288 (1977)] Available as PDF file

5. "History of H3 Kinetics," D. G. Truhlar and R. E. Wyatt, in Annual Review of Physical Chemistry, Vol. 27, edited by B. S. Rabinovitch (Annual Reviews, Inc., Palo Alto, California, 1976), pp. 1-43. Available as PDF file

6. "H + H2: Potential Energy Surfaces and Elastic and Inelastic Scattering," D. G. Truhlar and R. E. Wyatt, in Advances in Chemical Physics, Vol. 36, edited by I. Prigogine and S. A. Rice (John Wiley and Sons, New York, 1977), pp. 141-204. Available as PDF file

7. "Monte Carlo Trajectory Study of Ar + H2 Collisions. Translation to Vibration Energy Transfer from Different Initial States," N. C. Blais and D. G. Truhlar, inState-to-State Chemistry, edited by P. R. Brooks and E. F. Hayes (American Chemical Society, Symposium Series No. 56, Washington, 1977), pp. 243-246.Available as PDF file

8. "Reactive Scattering Cross Sections: Quasiclassical and Semiclassical Methods," D. G. Truhlar and J. T. Muckerman, in Atom-Molecule Collision TheoryA Guide for the Experimentalist, edited by R. B. Bernstein (Plenum Press, New York, 1979), pp. 505-566. Available as PDF file

9. "Direct-Mode Chemical Reactions: Classical Theories," D. G. Truhlar and D. A. Dixon, in Atom-Molecule Collision Theory: A Guide for the Experimentalist, edited by R. B. Bernstein (Plenum Press, New York, 1979), pp. 595-646. Available as PDF file

10. "Polarization Potentials for Electron Scattering," D. G. Truhlar, D. A. Dixon, R. A. Eades, F. A. Van-Catledge, and K. Onda, in Electron-Molecule and Photon-Molecule Collisions, edited by T. N. Rescigno, V. McKoy, and B. I. Schneider (Plenum Press, New York, 1979), pp. 151-165. Available as PDF file

11. "Applications of Close Coupling Algorithms to Electron-Atom, Electron-Molecule, and Atom-Molecule Scattering," D. G. Truhlar, N. M. Harvey, K. Onda, and M. A. Brandt, in Algorithms and Computer Codes for Atomic and Molecular Quantum Scattering Theory, Vol. 1, edited by L. Thomas (National Resource for Computation in Chemistry, Lawrence Berkeley Laboratory, Berkeley, California, 1979), pp. 220-289. Available as PDF file

12. "The Coupling of Electronically Adiabatic States in Atomic and Molecular Collisions," B. C. Garrett and D. G. Truhlar, in Theoretical Chemistry: Advances and Perspectives, Vol. 6A, edited by D. Henderson (Academic Press, New York, 1981), pp. 215-289. [Theor. Chem. (N.Y.) 6A ("Theory of Scattering: Papers in Honor of Henry Eyring"), 215-289 (1981)] Available as PDF file

13. "Introduction," P. Politzer and D. G. Truhlar, in Chemical Applications of Atomic and Molecular Electrostatic Potentials, edited by P. Politzer and D. G. Truhlar (Plenum Press, New York, 1981), pp. 1-6. Available as PDF file

14. "Some Relationships Between Different Uses of the Electrostatic Potential," D. G. Truhlar, ibid., pp. 85-91. Available as PDF file

15. "Effective Potentials for Intermediate-Energy Electron Scattering: Testing Theoretical Models," D. G. Truhlar, ibid., pp. 123-172. Available as PDF file

16. "Adiabatic Polarization Potentials for the Water and Nitrogen Molecules. A Comparison of Large and Small Basis Sets," C. H. Douglass, Jr., D. A. Weil, P. A. Charlier, R. A. Eades, D. G. Truhlar, and D. A. Dixon, ibid., pp. 173-213. Available as PDF file

17. "Reaction, Dissociation, and Energy Transfer as a Function of Initial State for H + H2 on an Accurate Ab Initio Potential Energy Surface," N. C. Blais and D. G. Truhlar, in Potential Energy Surfaces and Dynamics Calculations, edited by D. G. Truhlar (Plenum Press, New York, 1981), pp. 431-473. Available as PDF file

18. "Determination of the Bottleneck Regions of Potential Energy Surfaces for Atom Transfer Reactions by Variational Transition State Theory," B. C. Garrett, D. G. Truhlar, and R. S. Grev, ibid., pp. 587-637. Available as PDF file

19. "Derivative Coupling Elements in Electronically Adiabatic Representations and Their Use in Scattering Calculations," B. C. Garrett, D. G. Truhlar, and C. F. Melius, in Energy Storage and Redistribution in Molecules, edited by J. Hinze (Plenum Press, New York, 1983), pp. 375-395. Available as PDF file

20. "Generalized Transition State Theory," D. G. Truhlar, A. D. Isaacson, and B. C. Garrett, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC Press, Boca Raton, FL, 1985), Vol. 4, pp. 65-137. Available as PDF file

21. "Variational Transition State Theory," D. G. Truhlar and B. C. Garrett, in Annual Review of Physical Chemistry, Vol. 35, edited by B. S. Rabinovitch, J. M. Schurr, and H. L. Strauss (Annual Reviews, Inc., Palo Alto, California, 1984), pp. 159-189. Available as PDF file

22. "Variational Transition State Theory and Tunneling Calculations of Potential Energy Surface Effects on the Reaction of O(3P) with H2," D. G. Truhlar, K. Runge, and B. C. Garrett, in Twentieth Symposium (Internationalon Combustion (Combustion Institute, Pittsburgh, 1984), pp. 585-593. See also discussion remarks: pp. 593-594.Available as PDF file

23. "Adiabatic and Nonadiabatic Methods for Energies, Lifetimes, and Branching Probabilities of Bimolecular Reactive Collisions," B. C. Garrett, D. W. Schwenke, R. T. Skodje, D. Thirumalai, T. C. Thompson, and D. G. Truhlar, in Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics, edited by D. G. Truhlar (American Chemical Society, Symposium Series No. 263, Washington, 1984), pp. 375-400. Available as PDF file

24. "Transition State Theory," M. M. Kreevoy and D. G. Truhlar, in Investigation of Rates and Mechanisms of Reactions, 4th edition, edited by C. F. Bernasconi (John Wiley and Sons, New York, 1986), Part 1, pp. 13-95. [Tech. Chem. (N.Y.), 4th ed., 6/Pt. 1, 13-95 (1986)] Available as PDF file

25. "Dynamics Calculations Based on Ab Initio Potential Energy Surfaces," D. G. Truhlar, F. B. Brown, D. W. Schwenke, R. Steckler, and B. C. Garrett, inComparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by R. J. Bartlett (Reidel, Dordrecht, Holland, 1985), pp. 95-139.Available as PDF file

26. "Large-Scale Quantum Mechanical Scattering Calculations on Vector Computers," D. W. Schwenke and D. G. Truhlar, in Supercomputer Applications, edited by R. W. Numrich (Plenum Press, New York, 1985), pp. 215-254. Available as PDF file

27. "Potential Energy Surfaces," D. G. Truhlar, in The Encyclopedia of Physical Science and Technology, edited by R. A. Meyers (Academic Press, New York, 1987), Vol. 11, pp. 206-214. Update: 2nd ed. (1992), Vol. 13, pp. 385-393. Available as PDF file

28. "Converged Calculations of Rotational Excitation and V-V Energy Transfer in the Collision of Two Molecules," D. W. Schwenke and D. G. Truhlar, inSupercomputer Simulations in Chemistry, edited by M. Dupuis (Springer-Verlag, Berlin, 1986), pp. 165-197. [Lect. Notes Chem. 44, 165-197 (1986)] Available as PDF file

29. "The Representation and Use of Potential Energy Surfaces in the Wide Vicinity of a Reaction Path for Dynamics Calculations on Polyatomic Reactions," D. G. Truhlar, F. B. Brown, R. Steckler, and A. D. Isaacson, in The Theory of Chemical Reaction Dynamics, edited by D. C. Clary (D. Reidel, Dordrecht, Holland, 1986), pp. 285-329. [NATO ASI Ser. C 170, 285-329 (1986)] Available as PDF file

30. "Supercomputer Research in Chemistry and Chemical Engineering: An Introduction," K. F. Jensen and D. G. Truhlar, in Supercomputer Research in Chemistry and Chemical Engineering, edited by K. F. Jensen and D. G. Truhlar (American Chemical Society, Symposium Series No. 353, Washington, 1987), pp. 1-14.Available as PDF file

31. "Large-Scale Quantum Mechanical Calculations of the Sensitivity of Vibrational and Rotational Energy Transfer to the Potential Energy Surface in the Collision of Two Molecules," D. W. Schwenke and D. G. Truhlar, ibid., pp. 176-199. Available as PDF file

32. "Chemical Reaction Rate Calculations Using a Cray-2 Computer and Their Use to Test Approximate Theories," K. Haug, D. W. Schwenke, Y. Shima, D. G. Truhlar, J. Z. H. Zhang, Y. Zhang, Y. Sun, D. J. Kouri, and B. C. Garrett, in Science and Engineering on Cray Supercomputers (Proceedings of the Third International Symposium, Minneapolis, Minnesota, September 1987; Cray Research, Minneapolis, 1987), pp. 427-447. Available as PDF file

33. "New Time-Dependent and Time-Independent Computational Methods for Molecular Collisions," D. J. Kouri, Y. Sun, R. C. Mowrey, J. Z. H. Zhang, D. G. Truhlar, K. Haug, and D. W. Schwenke, in Mathematical Frontiers in Computational Chemical Physics, edited by D. G. Truhlar (Springer-Verlag, New York, 1988), pp. 207-244. Available as PDF file

34. "Dynamical Formulation of Transition State Theory: Variational Transition States and Semiclassical Tunneling," S. C. Tucker and D. G. Truhlar, in New Theoretical Concepts for Understanding Organic Reactions, edited by J. Bertrán and I. G. Csizmadia (Kluwer, Dordrecht, The Netherlands, 1989), pp. 291-346. [NATO ASI Ser. C 267, 291-346 (1989)] Available as PDF file

35. "Computational Strategies and Improvements in the Linear Algebraic Variational Approach to Rearrangement Scattering," D. W. Schwenke, M. Mladenovic, M. Zhao, D. G. Truhlar, Y. Sun, and D. J. Kouri, in Supercomputer Algorithms for Reactivity, Dynamics, and Kinetics of Small Molecules, edited by A. Laganà (Kluwer, Dordrecht, The Netherlands, 1989), pp. 131-168. [NATO ASI Ser. C 277, 131-168 (1989)] Available as PDF file

36. "The HF Dimer: Potential Energy Surface and Dynamical Processes," D. G. Truhlar, in Dynamics of Polyatomic van der Waals Complexes, edited by N. Halberstadt and K. C. Janda (Plenum, New York, 1990), pp. 159-185. [NATO ASI Ser. B 227, 159-185 (1990)] Available as PDF file

37. "Localized Basis Functions and Other Computational Improvements in Variational Nonorthogonal Basis Function Methods for Quantum Mechanical Scattering Problems Involving Chemical Reactions," D. W. Schwenke and D. G. Truhlar, in Computing Methods in Applied Sciences and Engineering, edited by R. Glowinski and A. Lichnewsky (Society for Industrial and Applied Mathematics, Philadelphia, 1990), pp. 291-310. Available as PDF file

38. "RMPROP: A Computer Program for Quantum Mechanical Close Coupling Calculations for Inelastic Collisions," M. J. Unekis, D. W. Schwenke, N. M. Harvey, and D. G. Truhlar, in Modern Techniques in Computational Chemistry: MOTECC-91, edited by E. Clementi (ESCOM, Leiden, 1991), pp. 749-772. [Mod. Tech. Comput. Chem.: MOTECC-91, 749-72 (1991)] Available as PDF file

39. "Variational Transition State Theory with Multidimensional Semiclassical Ground-State Transmission Coefficients: Applications to Secondary Deuterium Kinetic Isotope Effects in Reactions Involving Methane and Chloromethane," D. G. Truhlar, D.-h. Lu, S. C. Tucker, X. G. Zhao, A. Gonzàlez-Lafont, T. N. Truong, D. Maurice, Y-.P. Liu, and G. C. Lynch, in Isotope Effects in Chemical Reactions and Photodissociation Processes, by J. A. Kaye (American Chemical Society, Symposium Series 502, Washington, DC, 1992), pp. 16-36. Available as PDF file

40. "Linear Algebraic Formulation of Reactive Scattering with General Basis Functions," G. J. Tawa, S. L. Mielke, D. G. Truhlar, and D. W. Schwenke, in Advances in Molecular Vibrations and Collision Dynamics, Vol. 2B, edited by J. M. Bowman (JAI Press, Greenwich, Connecticut, 1994), pp. 45-116. [Adv. Mol. Vib. Collision Dyn. 2B, 45-116 (1994)] Available as PDF file

41. "RMPROP-Version 2: A Computer Program for Quantum Mechanical Close Coupling Calculations for Inelastic Collisions," M. J. Unekis, D. W. Schwenke, N. M. Harvey, and D. G. Truhlar, in Methods and Techniques in Computational Chemistry: METECC-94, edited by E. Clementi (STEF, Cagliari, Italy, 1993), Vol. C, pp. 1-46. Available as PDF file

42. "Continuum Solvation Models: Classical and Quantum Mechanical Implementations," C. J. Cramer and D. G. Truhlar, in Reviews in Computational Chemistry, Vol. 6, edited by K. B. Lipkowitz and D. B. Boyd (VCH Publishers, New York, 1995), pp. 1-72. Available as PDF file

43. "Development and Biological Applications of Quantum Mechanical Continuum Solvation Models," C. J. Cramer and D. G. Truhlar, in Quantitative Treatments of Solute/Solvent Interactions , edited by P. Politzer and J. S. Murray (Elsevier, Amsterdam, 1994), pp. 9-54. [Theor. Comp. Chem. 2, 9-54 (1994).] Available as PDF file

44. "Large-Scale Calculations of the Quantum Dynamics of Molecular Collisions and Reactions," D. G. Truhlar, D. W. Schwenke, S. L. Mielke, M. S. Reeves, R. W. Numrich, D. H. Briesemeister, D. C. Chatfield, R. S. Friedman, M. Kalke, G. J. Tawa, and M. J. Unekis, in Toward Teraflop Computing and New Grand Challenge Applications , edited by R. K. Kalia and P. Vashishta (Nova Science Publishers, Commack, NY, 1995), pp. 151-171. Available as PDF file

45. "Theoretical Approaches to the Reaction Dynamics of Clusters," A. Gonzàlez-Lafont and D. G. Truhlar, in Chemical Reactions in Clusters, edited by E. R. Bernstein (Oxford University Press, New York, 1996), pp. 1-39. Available as PDF file

46. "Reaction Path Approach to Dynamics at a Gas-Solid Interface: Quantum Tunneling Effects for an Adatom on a Non-Rigid Metallic Surface," S. E. Wonchoba, W.-P. Hu, and D. G. Truhlar, in Theoretical and Computational Approaches to Interface Phenomena, edited by H. L. Sellers and J. T. Golab (Plenum, New York, 1994), pp. 1-33. Available as PDF file

47. "Structure and Reactivity in Aqueous Solutions: An Overview," C. J. Cramer and D. G. Truhlar, in Structure and Reactivity in Aqueous Solution: Characterization of Chemical and Biological Systems, edited by C. J. Cramer and D. G. Truhlar (American Chemical Society, Symposium Series 568, Washington, DC, 1994), pp. 1-9. Available as PDF file

48. "Solvation Modeling in Aqueous and Nonaqueous Solvents: New Techniques and a Re-examination of the Claisen Rearrangement," J. W. Storer, D. J. Giesen, G. D. Hawkins, G. C. Lynch, C. J. Cramer, D. G. Truhlar, and D. A. Liotard, in Structure, Energetics, and Reactivity in Aqueous Solution: Characterization of Chemical and Biological Systemsibid., pp. 24-49. Available as PDF file

49. "Think Globally, Act Locally: An Introduction to Domain-Based Parallelism and Problem Decomposition Methods," D. E. Keyes, Y. Saad, and D. G. Truhlar, inDomain-Based Parallelism and Problem Decomposition Methods in Computational Science and Engineering, edited by D. Keyes, Y. Saad, and D. G. Truhlar (Society for Industrial and Applied Mathematics, Philadelphia, 1995), pp. vii-xiv. Available as PDF file

50. "Problem Decomposition Techniques in Quantum Mechanical Reactive Scattering," D. W. Schwenke and D. G. Truhlar, in Domain-Based Parallelism and Problem Decomposition Methods in Computational Science and Engineering, edited by D. E. Keyes, Y. Saad, and D. G. Truhlar (Society for Industrial and Applied Mathematics, Philadelphia, 1995), pp. 303-323. Available as PDF file

51. "Direct Dynamics Method for the Calculation of Reaction Rates," D. G. Truhlar, in The Reaction Path in Chemistry: Current Approaches and Perspectives, edited by D. Heidrich (Kluwer, Dordrecht, 1995), pp. 229-255. [Understanding Chem. React. 16, 229-255 (1995).] Available as PDF file

52. "Continuum Solvation Models," C. J. Cramer and D. G. Truhlar, in Solvent Effects and Chemical Reactivity, edited by O. Tapia and J. Bertrán (Kluwer, Dordrecht, 1996), pp. 1-80. [Understanding Chem. React. 17, 1-80 (1996).] Available as PDF file

53. "Computational Spectroscopy of the Transition State," D. C. Chatfield, R. S. Friedman, S. L. Mielke, G. C. Lynch, T. C. Allison, D. G. Truhlar, and D. W. Schwenke, in Dynamics of Molecules and Chemical Reactions, edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York, 1996), pp. 323-386. Available as PDF file

54. "Die Photochemischen Bildung des ChlorwasserstoffsDynamics of Cl + H2 <-> HCl + H on a New Potential Energy Surface: The Photosynthesis of Hydrogen Chloride Revisited 100 Years after Max Bodenstein," T. C. Allison, S. L. Mielke, D. W. Schwenke, G. C. Lynch, M. S. Gordon, and D. G. Truhlar, in Gas-Phase Chemical Reaction Systems: Experiments and Models 100 Years after Max Bodenstein, edited by J. Wolfrum, H.-R. Volpp, R. Rannacher, J. Warnatz (Springer, Berlin, 1996), pp. 111-124. [Springer Ser. Chem. Phys. 61, 111-124 (1996), Volume Date 1995] Available as PDF file

55. "Barrier Resonances and Chemical Reactivity," R. S. Friedman and D. G. Truhlar, in Multiparticle Quantum Scattering with Applications to Nuclear, Atomic, and Molecular Physics, edited by D. G. Truhlar and B. Simon (Springer, New York, 1997), pp 243-281. [IMA Vol. Math. Its Appl. 89, 243-281 (1997).] Available as PDF file

56. "Modeling Free Energies of Solvation and Transfer," D. J. Giesen, C. C. Chambers, G. D. Hawkins, C. J. Cramer, and D. G. Truhlar, in Computational Thermochemistry, edited by K. Irikura and D. J. Frurip (American Chemical Society ,Symposium Series 677, Washington, DC), pp. 285-300 (1998). Available as PDF file

57. "Theoretical Chemistry," D. G. Truhlar, in Macmillan Encyclopedia of Chemistry, edited by J. J. Lagowski (Simon & Schuster Macmillan, New York, 1997), pp. 1432-1433 (in Vol. 4). Available as PDF file

58. "Transition State Theory," B. C. Garrett and D. G. Truhlar, in Encyclopedia of Computational Chemistry, edited by P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, and H. F. Schaefer III (John Wiley  & Sons, Chichester, UK, 1998), Volume 5, pp. 3094-3104. Available as PDF file

59. "Testing the Accuracy of Practical Semiclassical Methods: Variational Transition State Theory with Optimized Multidimensional Tunneling," T. C. Allison and D. G. Truhlar, in Modern Methods for Multidimensional Dynamics Computations in Chemistry, edited by D. L. Thompson (World Scientific, Singapore, 1998), pp. 618-712. Available as PDF file

60. "Modeling the Effect of Solvation on Structure, Reactivity, and Partitioning of Organic Solutes: Utility in Drug Design," C. C. Chambers, D. J. Giesen, G. D. Hawkins, W. H. J. Vaes, C. J. Cramer, and D. G. Truhlar, in Rational Drug Design, edited by D. G. Truhlar, W. J. Howe, A. J. Hopfinger, J. M. Blaney, and R. A. Dammkoehler (Springer, New York, 1999), pp. 51-72.  [IMA Vol. Math. Its Appl. 108, 51-72 (1999).] Available as PDF file

61. "New Tools for Rational Drug Design," G. D. Hawkins, J. Li, T. Zhu, C. C. Chambers, D. J. Giesen, D. A. Liotard, C. J. Cramer, and D. G. Truhlar, in Rational Drug Design, edited by A. L. Parrill and M. R. Reddy (American Chemical Society, Symposium Series Volume 719, Washington, DC, 1999), pp. 121-140.Available as PDF file

62. "Universal Solvation Models," G. D. Hawkins, T. Zhu, J. Li, C. C. Chambers, D. J. Giesen, D. A. Liotard, C. J. Cramer, and D. G.  D. G. Truhlar, in Combined Quantum Mechanical and Molecular Mechanical Methods, edited by J. Gao and M. A. Thompson (American Chemical Society, Symposium Series Volume 712, Washington, DC, 1998), pp. 201-219. Available as PDF file

63. "Dual-Level Methods for Electronic Structure Calculations of Potential Energy Functions that Use Quantum Mechanics as the Lower Level," J. C. Corchado and D. G. Truhlar, in Combined Quantum Mechanical and Molecular Mechanical Methods, edited by J. Gao and M. A. Thompson (American Chemical Society, Symposium Series volume 712, Washington, DC, 1998), pp. 106-127. Available as PDF file

64. "Quantum Catalysis: The Modeling of Catalytic Transition States," M. B. Hall, P. Margl, G. Náray-Szabó, V. L. Schramm, D. G. Truhlar, R. A. van Santen, A. Warshel, and J. L. Whitten, in Transition State Modeling for Catalysis, edited by D. G. Truhlar and K. Morokuma (American Chemical Society, Symposium Series 721, Washington, DC, 1999), pp. 2-17. Available as PDF file

65. "Ethylene Polymerization by Zirconocene Catalysis," P. K. Das, D. W. Dockter, D. R. Fahey, D. E. Lauffer, G. D. Hawkins, J. Li, T. Zhu, C. J. Cramer, D. G. Truhlar, S. Dapprich, R. D. J. Froese, M. C. Holthausen, Z. Liu, K. Mogi, S. Viboishchikov, D. G. Musaev, and K. Morokuma, in Transition State Modeling for Catalysis, edited by D. G. Truhlar and K. Morokuma (American Chemical Society, Symposium Series, Washington, DC, 1999), pp. 208-224. Available as PDF file

66. "The Thermodynamics of Solvation and the Treatment of Equilibrium and Nonequilibrium Solvation Effects by Models Based on Collective Solvent Coordinates," C. J. Cramer and D. G. Truhlar, in Free Energy Calculations in Rational Drug Design, edited by M. R. Reddy and M. D. Erion (Kluwer Academic/Plenum, New York, 2001), pp. 63-95. Available as PDF file Unpublished errata

67. "Molecular-Scale Modeling of Reactions and Solvation," D. G. Truhlar, in First International conference on Foundations of Molecular Modeling and Simulation, edited by P. T. Cummings. P. R. Westmoreland, and B. Carnahan (American Institute of Chemical Engineers, Symposium Series Vol. 97, New York, 2001), pp. 71-83. Available as PDF file

68. "Quantum Mechanical Methods for Enzyme Kinetics ," J. Gao and D. G. Truhlar, in Annual Review of Physical Chemistry, Vol. 53, edited by S. R. Leone, P. Alivasatos, and A. E. McDermott (Annual Reviews, Inc., Palo Alto, CA, 2002), pp. 467-505. Available as PDF file

69. "Non-Born-Oppenheimer Chemistry: Potential Surfaces, Couplings, and Dynamics," A. W. Jasper, B. K. Kendrick, C. A. Mead, and D. G. Truhlar, in Modern Trends in Chemical Reaction Dynamics: Experiment and Theory (Part 1), edited by X. Yang and K. Liu (World Scientific, Singapore, 2004), pp. 329-391. [Advanced Series in Physical Chemistry 14, 329-391 (2004).] Available as PDF file

70.  "Multilevel Methods for Thermochemistry and Thermochemical Kinetics," B. J. Lynch and D. G. Truhlar, in Recent Advances in Electron Correlation methodology, edited by A. K. Wilson (Oxford University Press, American Chemical Society Symposium Series Volume 958, Washington, DC, 2007), pp. 153-167. Available as PDF file and dx.doi.org/10.1021/bk-2007-0958.ch009

71.  "Variational Transition State Theory and Multidimensional Tunneling for Simple and Complex Reactions in the Gas Phase, Solids, Liquids, and Enzymes," D. G. Truhlar, in Isotope Effects in Chemistry and Biology, edited by A. Kohen and H.-H. Limbach (Marcel Dekker, Inc., New York, 2006), pp. 579-620. Available as PDF file

72.  "Hydrogen Atom Transfers in B12 Enzymes," R. Banerjee, D. G. Truhlar, A. Dybala-Defratyka, P. Paneth, in Hydrogen Transfer Reactions, edited by J. T. Hynes, J. P. Klinman, H.-H. Limbach, and R. L. Schowen (Wiley-VCH, Weinheim, Germany, 2007), Vol. 4, pp. 1473-1495. Available as PDF file

73. "Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions, " D. G. Truhlar and B. C. Garrett, in Hydrogen Transfer Reactions, edited by J. T. Hynes, J. P. Klinman, H. H. Limbach, and R. L. Schowen (Wiley-VCH, Weinheim, Germany, 2007), Vol. 2, pp. 833-874. Available as PDF file

74. "Decoherence in Combined Quantum Mechanical and Classical Mechanical Methods for Dynamics as Illustrated for Non-Born-Oppenheimer Trajectories," D. G. Truhlar, in Quantum Dynamics of Complex Molecular Systems, edited by D. A. Micha and I. Burghardt. Springer Series in Chemical Physics, Vol. 83 (Springer,Berlin, 2007), pp. 227-243. Available as PDF file

75. "Variational Transition State Theory," B. C. Garrett and D. G. Truhlar, in Theory and Applications of Computational Chemistry: The First Forty Years, edited by C. E. Dykstra, G. Frenking, K. S. Kim, G. E. Scuseria (Elsevier, Amsterdam, 2005), pp. 67-87. CODEN: 69HSJX Available as PDF file

76. "Variational Transition State Theory with Multidimensional Tunneling," A. Fernandez-Ramos, B. A. Ellingson, B. C. Garrett, and D. G. Truhlar, in Reviews in Computational Chemistry, Vol. 23, edited by K. B. Lipkowitz and T. R. Cundari (Wiley-VCH, Hoboken, NJ, 2007), pp. 125-232. Available as PDF file

77. “SMx Continuum Models for Condensed Phases,” C. J. Cramer and D. G. Truhlar, in Trends and Perspectives in Modern Computational Science, Lecture Series on Computer and Computational Sciences, Vol. 6, edited by G. Maroulis and T.E. Simos (Brill/VSP, Leiden, 2006), pp. 112-140. Available as PDF file

78. "Transition State Theory and Chemical Reaction Dynamics in Solution," D. G. Truhlar and J. R. Pliego Jr., in Continuum Solvation Models in Chemical Physics: From Theory to Applications, edited by B. Mennucci and R. Cammi (Wiley, Chichester, 2007), pp. 338-365. Available as PDF file

79. "Al Nanoparticles: Accurate Potential Energy Functions and Physical Properties," N. E. Schultz, A. W. Jasper, D. Bhatt, J. I. Siepmann, and D. G. Truhlar, inMultiscale Simulation Methods for Nanomaterials, edited by R. B. Ross and S. Mohanty (Wiley, Hoboken, 2008), pp. 169-188. Available as PDF file

80. "Quantum Catalysis in Enzymes,," Dybala-Defratyka, P. Paneth, D.G. Truhlar, in Quantum Tunneling in Enzyme Catalyzed Reactions, edited by R. K. Allemann and N. S. Scrutton (Royal Society of Chemistry, Cambridge, UK, 2009), pp. 36-78. Available as PDF file

81. "Electrostatically Embedded Many-Body Expansion for Large Systems," E. D. Speetzen, H. R. Leverentz, H Lin, and Donald G. Truhlar, in Accurate Condensed-Phase Electronic Structure Theory, edited by Fred Manby (CRC Press, Boca Raton, FL, 2011), pages 105-127.http://crcpress.com/product/isbn/9781439808368 (Available as PDF file)

82. "Non-Born-Oppenheimer Molecular Dynamics for Conical Intersections, Avoided Crossings, and Weak Interactions," A. W. Jasper and D. G. Truhlar, inConical Intersections: Theory, Computation, and Experiment, edited by W. Domcke, D. R. Yarkony, and H. Köppel (World Scientific, Singapore, 2011), pp. 375-412. (chapter 10) [Adv. Ser. Phys. Chem. 17, 375-412 (2011)].(PDF file before proofUnpublished errata .

83. "The Minnesota Density Functionals and Their Applications to Problems in Mineralogy and Geochemistry," Y. Zhao and G. G. Truhlar, in Theoretical and Computational Methods in Mineral Physics: Geophysical Applications, edited by R. Wentzcovitch and L. Stixrude (Reviews in Mineralogy and Geochemistry, Volume 71, Mineralogical Society of America, Chantilly, VA, 2010), pages 19-37. DOI:10.2138/rmg.2010.71.2 (Available as PDF file )

84. "Atomic Radii of the Elements," M. Mantina, R. Valero, C. J. Cramer, and D. G. Truhlar, in CRC Handbook of Chemistry and Physics, 91st Edition (2010-2011), edited by W. M. Haynes (CRC Press, Boca Raton, FL, 2010), pages 9-49 - 9-50.

85. "Explicit Polarization Theory," Y. Wang, M. J. M. Mazack, D. G. Truhlar, and J. Gao, in Many-Body Effects and Electrostatics in Biomolecules, edited by Q. Cui, M. Meuwly, and P. Ren (CRC Press, Boca Raton, FL, 2016), pp. 33-64.  ISBN 9789814613927. (Preprint available as PDF file) (Available as PDF file)

86. "Theoretical Calculation of Reduction Potentials," J. Ho, M. L. Coote, C. J. Cramer, and D. G. Truhlar, in Organic Electrochemistry, 5th edition, edited by O. Hammerich and B. Speiser (CRC Press, Boca Raton, FL, 2016), pp. 229-259. ISBN-13: 978-1-4200-8402-3. (Available as PDF file)