Author and Subject Indexes of Volumes 1-18 of

REVIEWS IN COMPUTATIONAL CHEMISTRY

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Prepared by Donald B. Boyd, Editor Emeritus
Indiana University - Purdue University - Indianapolis (IUPUI)

The information available here is a free, online resource to help researchers quickly locate the information they need. The first two columns of the table below show which volumes have chapters on the listed topics. The last column has links to the Author and Subject Indexes of Volumes 1-18 of RCC. The author indexes include the names of authors cited in the chapters of each volume. Most of the index documents are rather long.

Ab initio calculations, 1, 2, 3, 8, 13, 15

Basis set superposition errors, 13
Basis sets, 1
Brownian dynamics, 5

Cellular automata modeling, 17
Charge distributions, 2, 5, 14
Charge transfer, 18
Cheminformatics, 1, 7, 18
Chemometrics, 1
Clustering methods, 18
Computational chemistry literature, 2, 17
Conformational analysis, 2, 9
Coupled cluster theory, 14
Crystal polymorphs, 12

Databases of structures, 1, 7
De novo design, 11
Density functional theory, 7, 13, 15
Descriptors, 1, 9, 18
Distance geometry, 5
Diversity analysis, 10, 16
DNA, 11
Docking, 16, 18
Drug discovery, 1, 5, 9, 10, 11, 16, 18

Effective core potentials, 8
Electrostatics, 2, 5, 14
Enthalpies of formation, 14
Entropy, 12

Force fields, 2, 6, 9, 14, 16
Free energy calculations, 1, 9, 12, 16
Fullerenes, 8

Genetic algorithms, 10
Gordon Research Conference on Computational Chemistry, 14

High performance computing, 6
History of development of the field, 1, 10, 12, 14, 15, 18
Hydrogen bonding, 2
Inorganics, 6
Intermolecular interactions, 1, 14

Job market, 7, 12, 18

Kohn-Sham orbitals, 15
Library design, 10, 16
Ligand design, 1, 5, 9, 10, 11, 16, 18
Linear free energy relationships, 18
Lipids, 6
Lipophilicity, 11

Materials modeling, 6, 8, 12, 14, 16
Mesoscopic models, 13
Metal-water interfaces, 12
Molecular connectivity, 2
Molecular design, 1, 5
Molecular diversity, 16
Molecular dynamics, 1, 4, 5, 9, 11, 12, 14, 18
Molecular mechanics, 2, 6, 9, 14
Molecular modeling, 1, 3, 9
Molecular orbital calculations, 1, 2, 3, 6, 8, 13
Molecular properties, 1
Molecular shape, 9
Molecular similarity, 7, 16
Molecular simulations, 1, 4, 5, 9, 11, 12, 14, 18
Molecular surfaces, 1

Neural networks, 16
Nonequilibrium molecular dynamics, 14
Nonlinear dynamics, 10
Nonlinear optical properties, 12
Nuclear magnetic resonance, 3, 8
Nucleic acids, 12, 18
Open-shell calculations, 13
Optimization methods, 3
Organometallics, 6

Peptide structure, 3
Pesticides, 1
Photochemistry, 15
Polarizability, 18
Polymers, 6
Population analysis, 2, 5
Post-Hartree-Fock methods, 5, 8, 14
Potential energy surfaces, 4, 15
Proteins, 2, 10, 13, 17
Pseudopotentials, 8

Quantitative structure-activity (or property) relationships, 1, 2, 11, 18
Quantum mechanical/molecular mechanical methods, 7
Quantum Monte Carlo, 13

Reaction dynamics, 2, 4, 10, 15, 18
Relativistic effects, 8

Saccharides, 9
Scoring, 16, 18
Semiempirical molecular orbital methods, 1, 2, 6, 8
Sensitivity analysis, 12
Software, 6, 7, 11
Solvation, 6
Spin-orbit coupling, 17
Structure diagram generation, 13

Teaching computational chemistry, 4
Theory, 12, 14, 17, 18
Three-dimensional quantitative structure-activity relationships, 11
Toxicity prediction, 3

Vibrational circular dichroism, 7

Water, 12, 13, 17

Zeolites, 14

Indexes

Vol. 1 Author
Vol. 1 Subject

Vol. 2 Author
Vol. 2 Subject

Vol. 3 Author
Vol. 3 Subject

Vol. 4 Author
Vol. 4 Subject

Vol. 5 Author
Vol. 5 Subject

Vol. 6 Author
Vol. 6 Subject

Vol. 7 Author
Vol. 7 Subject

Vol. 8 Author
Vol. 8 Subject

Vol. 9 Author
Vol. 9 Subject

Vol. 10 Author
Vol. 10 Subject

Vol. 11 Author
Vol. 11 Subject

Vol. 12 Author
Vol. 12 Subject

Vol. 13 Author
Vol. 13 Subject

Vol. 14 Author
Vol. 14 Subject

Vol. 15 Author
Vol. 15 Subject

Vol. 16 Author
Vol. 16 Subject

Vol. 17 Author
Vol. 17 Subject

Vol. 18 Author
Vol. 18 Subject


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Webmaster: Donald B. Boyd, Ph.D., Indiana University-Purdue University at Indianapolis (IUPUI)