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REVIEWS IN COMPUTATIONAL CHEMISTRY

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K. B. Lipkowitz and D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. vii-xii. Preface (on the Meaning and Scope of Computational Chemistry).

D. Feller and E. R. Davidson, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 1-43. Basis Sets for Ab Initio Molecular Orbital Calculations and Intermolecular Interactions.

J. J. P. Stewart, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 45-81. Semiempirical Molecular Orbital Methods.

C. E. Dykstra, J. D. Augspurger, B. Kirtman, and D. J. Malik, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 83-118. Properties of Molecules by Direct Calculation.

E. L. Plummer, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 119-168. The Application of Quantitative Design Strategies in Pesticide Design.

P. C. Jurs, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 169-212. Chemometrics and Multivariate Analysis in Analytical Chemistry.

Y. C. Martin, M. G. Bures, and P. Willett, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 213-263. Searching Databases of Three-Dimensional Structures.

P. G. Mezey, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 265-294. Molecular Surfaces.

T. P. Lybrand, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 295-320. Computer Simulation of Biomolecular Systems Using Molecular Dynamics and Free Energy Perturbation Methods.

D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 321-354. Aspects of Molecular Modeling.

D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 355-371. Successes of Computer-Assisted Molecular Design.

E. R. Davidson, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1990, Vol. 1, pp. 373-382. Perspectives on Ab Initio Calculations.


K. B. Lipkowitz and D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. v-xvi. Preface (on the Book Series).

A. R. Leach, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 1-55. A Survey of Methods for Searching the Conformational Space of Small and Medium-Sized Molecules.

J. M. Troyer and F. E. Cohen, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 57-80. Simplified Models for Understanding and Predicting Protein Structure.

J. P. Bowen and N. L. Allinger, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 81-97. Molecular Mechanics: The Art and Science of Parameterization.

U. Dinur and A. T. Hagler, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 99-164. New Approaches to Empirical Force Fields.

S. Scheiner, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 165-218. Calculating the Properties of Hydrogen Bonds by Ab Initio Methods.

D. E. Williams, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 219-271. Net Atomic Charge and Multipole Models for the Ab Initio Molecular Electric Potential.

P. Politzer and J. S. Murray, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 273-312. Molecular Electrostatic Potentials and Chemical Reactivity.

M. C. Zerner, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 313-365. Semiempirical Molecular Orbital Methods.

L. H. Hall and L. B. Kier, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 367-422. The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property Modeling.

I. B. Bersuker and A. S. Dimoglo, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 423-460. The Electron-Topological Approach to the QSAR Problem.

D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1991, Vol. 2, pp. 461-479. The Computational Chemistry Literature.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1992, Vol. 3, pp. v-viii. Preface (on the Plethora of Computational Chemistry Conferences).

T. Schlick, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1992, Vol. 3, pp. 1-71. Optimization Methods in Computational Chemistry.

H. A. Scheraga, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1992, Vol. 3, pp. 73-142. Predicting Three-Dimensional Structures of Oligopeptides.

A. E. Torda and W. F. van Gunsteren, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1992, Vol. 3, pp. 143-172. Molecular Modeling Using NMR Data.

D. F. V. Lewis, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1992, Vol. 3, pp. 173-222. Computer-Assisted Methods in the Evaluation of Chemical Toxicity.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1993, Vol. 4, pp. v-x. Preface (Examining the Need for More Computational Chemistry Journals).

J. Cioslowski, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1993, Vol. 4, pp. 1-33. Ab Initio Calculations on Large Molecules: Methodology and Applications.

M. L. McKee and M. Page, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1993, Vol. 4, pp. 35-65. Computing Reaction Pathways on Molecular Potential Energy Surfaces.

R. M. Whitnell and K. R. Wilson, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1993, Vol. 4, pp. 67-148. Computational Molecular Dynamics of Chemical Reactions in Solution.

R. L. DeKock, J. D. Madura, F. Rioux, and J. Casanova, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1993, Vol. 4, pp. 149-228. Computational Chemistry in the Undergraduate Curriculum.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. v-ix. Preface (on the Effective Use of Computational Chemists in Industry).

J. D. Bolcer and R. B. Hermann, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. 1-63. The Development of Computational Chemistry in the United States.

R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. 65-169. Applications of Post-Hartree-Fock Methods: A Tutorial.

S. M. Bachrach, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. 171-227. Population Analysis and Electron Densities from Quantum Mechanics.

J. D. Madura, M. E. Davis, M. K. Gilson, R. C. Wade, B. A. Luty, and J. A. McCammon, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. 229-267. Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations.

K. V. Damodaran and K. M. Merz Jr., in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. 269-298. Computer Simulation of Lipid Systems.

J. M. Blaney and J. S. Dixon, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. 299-335. Distance Geometry in Molecular Modeling.

L. M. Balbes, S. W. Mascarella, and D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. 337-379. A Perspective of Modern Methods in Computer-Aided Drug Design.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 6, pp. v-ix. Preface (on Changes Affecting the Job Market for Computational Chemists).

C. J. Cramer and D. G. Truhlar, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 6, pp. 1-72. Continuum Solvation Models: Classical and Quantum Mechanical Implementations.

C. R. Landis, D. M. Root, and T. Cleveland, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 6, pp. 73-148. Molecular Mechanics Force Fields for Modeling Inorganic and Organometallic Compounds.

V. Galiatsatos, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 6, pp. 149-208. Computational Methods for Modeling Polymers: An Introduction.

R. A. Kendall, R. J. Harrison, R. J. Littlefield, and M. F. Guest, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 6, pp. 209-316. High Performance Computing in Computational Chemistry: Methods and Machines.

D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 6, pp. 317-354. Molecular Modeling Software in Use: Publication Trends.

E. Osawa and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 6, pp. 355-381. Appendix 1: Published Force Field Parameters.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. v-xi. Preface (on Trends in the Job Market for Computational Chemists).

G. M. Downs and P. Willett, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. 1-66. Similarity Searching in Databases of Chemical Structures.

A. C. Good and J. S. Mason, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. 67-117. Three-Dimensional Structure Database Searches.

J. Gao, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. 119-185. Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials.

L. J. Bartolotti and K. Flurchick, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. 187-216. An Introduction to Density Functional Theory.

A. St-Amant, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. 217-259. Density Functional Methods in Biomolecular Modeling.

D. Yang and A. Rauk, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. 261-301. The A Priori Calculation of Vibrational Circular Dichroism Intensities.

D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. 303-380. Appendix: Compendium of Software for Molecular Modeling.


K. B. Lipkowitz and D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996 Vol. 8, pp. v-ix. Preface (on the Prevalence of Computational Chemistry Papers in Some Journals).

Z. Slanina, S.-L. Lee, and C.-h. Yu, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 8, pp. 1-62. Computations in Treating Fullerenes and Carbon Aggregates.

G. Frenking, I. Antes, M. Boehme, S. Dapprich, A. W. Ehlers, V. Jonas, A. Neuhaus, M. Otto, R. Stegmann, A. Veldkamp, and S. F. Vyboishchikov, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 8, pp. 63-143. Pseudopotential Calculations of Transition Metal Compounds: Scope and Limitations.

T. R. Cundari, M. T. Benson, M. L. Lutz, and S. O. Sommerer, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 8, pp. 145-202. Effective Core Potential Approaches to the Chemistry of the Heavier Elements.

J. Almlof and O. Gropen, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 8, pp. 203-244. Relativistic Effects in Chemistry.

D. B. Chesnut, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 8, pp. 245-297. The Ab Initio Computation of Nuclear Magnetic Resonance Chemical Shielding.


K. B. Lipkowitz and D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 9, pp. v-xxii. Preface (on the Geographical Distribution of Computational Chemistry Research Around the World).

J. R. Damewood, Jr., in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 9, pp. 1-79. Peptide Mimetic Design with the Aid of Computational Chemistry.

T. P. Straatsma, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 9, pp. 81-127. Free Energy by Molecular Simulation.

R. J. Woods, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 9, pp. 129-165. The Application of Molecular Modeling Techniques to the Determination of Oligosaccharide Solution Conformations.

I. Pettersson and T. Liljefors, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 9, pp. 167-189. Molecular Mechanics Calculated Conformational Energies of Organic Molecules: A Comparison of Force Fields.

G. A. Arteca, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1996, Vol. 9, pp. 191-253. Molecular Shape Descriptors.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1997, Vol. 10, pp. v-xi. Preface (on Retrospection and the Convergence of Computational Chemistry Journals).

R. Judson, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1997, Vol. 10, pp. 1-73. Genetic Algorithms and Their Use in Chemistry.

E. J. Martin, D. C. Spellmeyer, R. E. Critchlow Jr., and J. M. Blaney, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1997, Vol. 10, pp. 75-100. Does Combinatorial Chemistry Obviate Computer-Aided Drug Design?

R. Q. Topper, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1997, Vol. 10, pp. 101-176. Visualizing Molecular Phase Space: Nonstatistical Effects in Reaction Dynamics.

R. Larter and K. Showalter, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1997, Vol. 10, pp. 177-270. Computational Studies in Nonlinear Dynamics.

S. J. Smith and B. T. Sutcliffe, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1997, Vol. 10, pp. 271-316. The Development of Computational Chemistry in the United Kingdom.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, pp. v-x. Preface (on Computer-Aided Ligand Design).

M. A. Murcko, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, pp. 1-66. Recent Advances in Ligand Design Methods.

D. E. Clark, C. W. Murray, and J. Li, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, pp. 67-125. Current Issues in De Novo Molecular Design.

T. I. Oprea and C. L. Waller, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, pp. 127-182. Theoretical and Practical Aspects of Three-Dimensional Quantitative Structure-Activity Relationships.

G. Greco, E. Novellino, and Y. C. Martin, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, pp. 183-240. Approaches to Three-Dimensional Quantitative Structure-Activity Relationships.

P.-A. Carrupt, B. Testa, and P. Gaillard, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, pp. 241-315. Computational Approaches to Lipophilicity: Methods and Applications.

G. Ravishanker, P. Auffinger, D. R. Langley, B. Jayaram, M. A. Young, and D. L. Beveridge, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, pp. 317-372. Treatment of Counterions in Computer Simulations of DNA.

D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1997, Vol. 11, pp. 373-399. Appendix: Compendium of Software and Internet Tools for Computational Chemistry.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1998, Vol. 12, pp. v-xiii. Preface (on the Improved Job Market for Computational Chemists).

H. Meirovitch, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1998, Vol. 12, pp. 1-74. Calculation of the Free Energy and the Entropy of Macromolecular Systems by Computer Simulation.

R. Kutteh and T. P. Straatsma, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1998, Vol. 12, pp. 75-136. Molecular Dynamics with General Holonomic Constraints and Application To Internal Coordinate Constraints.

J. C. Shelley and D. R. Berard, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1998, Vol. 12, pp. 137-205. Computer Simulation of Water Physisorption at Metal-Water Interfaces.

D. W. Brenner, O. A. Shenderova, and D. A. Areshkin, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1998, Vol. 12, pp. 207-239. Quantum-Based Analytic Interatomic Forces and Materials Simulation.

H. A. Kurtz and D. S. Dudis, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1998, Vol. 12, pp. 241-279. Quantum Mechanical Methods for Predicting Nonlinear Optical Properties.

C. F. Wong, T. Thacher, and H. Rabitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1998, Vol. 12, pp. 281-326. Sensitivity Analysis in Biomolecular Simulation.

P. Verwer and F. J. J. Leusen, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1998, Vol. 12, pp. 327-365. Computer Simulation to Predict Possible Crystal Polymorphs.

J.-L. Rivail and B. Maigret, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1998, Vol. 12, pp. 367-380. Computational Chemistry in France: A Historical Survey.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1999, Vol. 13, pp. v-xvii. Preface (on Well-Known Persons in Computational Chemistry).

T. Bally and W. T. Borden, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1999, Vol. 13, pp. 1-97. Calculations on Open-Shell Molecules: A Beginner's Guide.

N. R. Kestner and J. E. Combariza, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1999, Vol. 13, pp. 99-132. Basis Set Superposition Errors: Theory and Practice.

J. B. Anderson, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1999, Vol. 13, pp. 132-182. Quantum Monte Carlo: Atoms, Molecules, Clusters, Liquids, and Solids.

A. Wallqvist and R. D. Mountain, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1999, Vol. 13, pp. 183-247. Molecular Models of Water: Derivation and Description.

J. M. Briggs and J. Antosiewicz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1999, Vol. 13, pp. 249-311. Simulation of pH-dependent Properties of Proteins Using Mesoscopic Models.

H. E. Helson, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1999, Vol. 13, pp. 313-398. Structure Diagram Generation.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 14, pp. v-xxiii. Preface (on Important Equations).

M. M. Francl and L. E. Chirlian, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 14, pp. 1-31. The Pluses and Minuses of Mapping Atomic Charges to Electrostatic Potentials.

T. D. Crawford and H. F. Schaefer III, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 14, pp. 33-136. An Introduction to Coupled Cluster Theory for Computational Chemists.

B. van de Graaf, S. L. Njo, and K. S. Smirnov, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 14, pp. 137-223. Introduction to Zeolite Modeling.

S. L. Price, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 14, pp. 225-289. Toward More Accurate Model Intermolecular Potentials For Organic Molecule.

C. J. Mundy, S. Balasubramanian, K. Bagchi, M. E. Tuckerman, G. J. Martyna, and M. L. Klein, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 14, pp. 291-397. Nonequilibrium Molecular Dynamics.

D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 14, pp. 399-439. History of the Gordon Research Conferences on Computational Chemistry.

M. Jalaie and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 14, pp. 441-486. Appendix: Published Force Field Parameters for Molecular Mechanics, Molecular Dynamics, and Monte Carlo Simulations.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 15, pp. v-xxxv. Preface (A Tribute to the Halcyon Days of QCPE; Information Resources for Chemists).

F. M. Bickelhaupt and E. J. Baerends, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 15, pp. 1-86. Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry.

M. A. Robb, M. Garavelli, M. Olivucci, and F. Bernardi, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 15, pp. 87-146. A Computational Strategy for Organic Photochemistry.

L. A. Curtiss, P. C. Redfern, and D. J. Frurip, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 15, pp. 147-211. Theoretical Methods for Computing Enthalpies of Formation of Gaseous Compounds.

R. J. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 15, pp. 213-299. The Development of Computational Chemistry in Canada.


D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 16, pp. v-viii. Preface (on the Pharmaceutical Industry Being the Largest Employer of Computational Chemists).

R. A. Lewis, S. D. Pickett, and D. E. Clark, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 16, pp. 1-51. Computer-Aided Molecular Diversity Analysis and Combinatorial Library Design.

K. Peterson, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 16, pp. 53-140. Artificial Neural Networks and Their Use in Chemistry.

J.-R. Hill, C. M. Freeman, and L. Subramanian, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 16, pp. 141-216. Use of Force Fields in Materials Modeling.

M. R. Reddy, M. D. Erion, and A. Agarwal, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2000, Vol. 16, pp. 217-304. Free Energy Calculations: Use and Limitations in Predicting Ligand Binding Affinities.


K. B. Lipkowitz and D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2001, Vol. 17, pp. v-xxviii. Preface (on Caveats for Using the CAplus Database and a Tribute to Deceased Computational Chemists).

I. Muegge and M. Rarey, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2001, Vol. 17, pp. 1-60. Small Molecule Docking and Scoring.

L. P. Ehrlich and R. C. Wade, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2001, Vol. 17, pp. 61-97. Protein-Protein Docking.

C. M. Marian, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2001, Vol. 17, pp. 99-204. Spin-Orbit Coupling in Molecules.

L. B. Kier, C.-K. Cheng, and P. G. Seybold, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2001, Vol. 17, pp. 205-254. Cellular Automata Models of Aqueous Solution Systems.

K. B. Lipkowitz and D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 2001, Vol. 17, pp. 255-357. Appendix: Books Published on the Topics of Computational Chemistry.


K. B. Lipkowitz and D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, Hoboken, NJ, 2002, Vol. 18, pp. v-ix. Preface (on Eternal Change).

G. M. Downs and J. M. Barnard, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, Hoboken, NJ, 2002, Vol. 18, pp. 1-40. Clustering Methods and Their Uses in Computational Chemistry.

H.-J. Boehm and M. Stahl, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, Hoboken, NJ, 2002, Vol. 18, pp. 41-87. The Use of Scoring Functions in Drug Discovery Applications.

S. W. Rick and S. J. Stuart, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, Hoboken, NJ, 2002, Vol. 18, pp. 89-146. Potentials and Algorithms for Incorporating Polarizability in Computer Simulations.

D. V. Matyushov and G. A. Voth, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, Hoboken, NJ, 2002, Vol. 18, pp. 147-210. New Developments in the Theoretical Description of Charge-Transfer Reactions in Condensed Phases.

G. R. Famini and L. Y. Wilson, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, Hoboken, NJ, 2002, Vol. 18, pp. 211-255. Linear Free Energy Relationships Using Quantum Mechanical Descriptors.

S. D. Peyerimhoff, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, Hoboken, NJ, 2002, Vol. 18, pp. 257-291. The Development of Computational Chemistry in Germany.

D. B. Boyd and K. B. Lipkowitz, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, Hoboken, NJ, 2002, Vol. 18, pp. 293-319. Appendix: Examination of the Employment Environment for Computational Chemistry.


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