Encyclopedia of computational chemistry

Pratt L 1997 Molecular theory of hydrophobic effects Encyclopedia of Computational Chemistry... 

Quack M 1998 Multiphoton excitation Encyclopedia of Computational Chemistry vol 3, ed P v R Schleyer et al (New York Wiley) pp 1775-91... 

Quack M and Troe J 1998 Statistical adiabatic channel model Encyclopedia of Computational Chemistry vo 4, ed P von Rague Schleyer et a/(New York Wiley) pp 2708-26... 

N.B. Chapman, J. Shorter (Eds.), Advances in Linear Free Energy Relationships, Plenum Press, London, 1972. po] N.B. Chapman, J. Shorter (Eds.), Correlation Analysis in Chemistry, Plenum Press, London, 1978. pi] J. Shorter, Linear Free Energy Relationships (LEER), in Encyclopedia of Computational Chemistry, Vol. 2, P.v.R. Schleyer, N.L. Ailinger, T. Clark,... 

Monographs, reference books, and encyclopedias, e.g., Ullmann s Encyclopedia of Industrial Chemistry, the Kirk-Othmer Encyclopedia of Chemical Technology, or the Encyclopedia of Computational Chemistry are included in this type of literature, which is furthest from the primary literature as concerns time and content. In most cases, tertiary literature summarizes a topic with information from different sources, and additionally evaluates the contents. 

D.R. Ripoll, H.A. Scheraga, ECEPP Empirical Conformational Energy Program for Peptides, in The Encyclopedia of Computational Chemistry, Vol. 2,... 

F. Ehrentreich, Fuzzy Methods in Chemistry, in Encyclopedia of Computational Chemistry, P.v.R. Schleyer,... 

P. C. Juts, Quantitative structure-property relationships, in Encyclopedia of Computational Chemistry, Volume 4, P. v. R. Schleyer, N. L. Allinger, T. Qaik, J. Gasteiger, P. A. KoUman, H. F. Schaefer III and P.R. Schreiner (Eds.), John Wiley Sons, Chichester, 1998, pp. 2320-2330. 

Amara P and M J Field 1998. Combined Quantum Mechanical and Molecular Mechanical Potentials. In Schleyer, P v R, N L Allinger, T Clark, J Gasteiger, P A Kolhnan H F Schaefer HI and P R Schreiner (Editors). The Encyclopedia of Computational Chemistry. Chichester, John Wiley Sons. 

Encyclopedia of Computational Chemistry John Wiley Sons, New York (1998). Some software packages are mentioned in sequence in this encyclopedia and others are collected at the end of volume 5. http //server.ccl.net/... 

The overall scope of this book is the implementation and application of available theoretical and computational methods toward understanding the structure, dynamics, and function of biological molecules, namely proteins, nucleic acids, carbohydrates, and membranes. The large number of computational tools already available in computational chemistry preclude covering all topics, as Schleyer et al. are doing in The Encyclopedia of Computational Chemistry [23]. Instead, we have attempted to create a book that covers currently available theoretical methods applicable to biomolecular research along with the appropriate computational applications. We have designed it to focus on the area of biomolecular computations with emphasis on the special requirements associated with the treatment of macromolecules. 

AD MacKerell Jr. Protein force fields. In PvR Schleyer, NL Allmger, T Clark, I Gasteiger, PA Kollman, HP Schaefer III, PR Schreiner, eds. The Encyclopedia of Computational Chemistry, Vol 3. Chichester, UK, Wiley 1998, pp 2191-2200. 

W. L. Jorgensen, Monte Carlo simulations for liquids. In Encyclopedia of Computational Chemistry, P. V. Rague Schleyer, Ed., Wiley, New York, 1998, 1754-1763. 

Boyd DB. Drug design. In Schleyer PvR, Allinger NL, Clark T, Gasteiger J, Kollman P, Schaefer HF III, editors. Encyclopedia of computational chemistry, Vol. 1. Chichester Wiley, 1998. p. 795-804. 

Bauschlicher, C. W., Jr., 1998, Transition Metals Applications in Encyclopedia of Computational Chemistry, Schleyer, P. v. R. (Editor-in-Chief), Wiley, Chichester. 

---