Computational Chemistry Conference

A wealth of texts, e.g. those by Clark21 and by Pople and coworkers22, and the series Reviews in Computational Chemistry23 provide comprehensive overviews on the whole field of computational chemistry, in particular on quantum chemistry. The Encyclopedia of Computational Chemistry24, to appear in 1998, will provide a comprehensive review on state-of-the-art computational chemistry, written by world-leading experts in the field. The Internet also provides an online forum of computational chemistry related sites, e.g. the Fourth Electronic Computational Chemistry Conference (ECCC4)25 and the Journal... 

Steven M. Bachrach, William L. Hase, Donald B. Boyd, S. K. Gray, and Henry S. Rzepa, Eds., Proceedings of the First Electronic Computational Chemistry Conference, CD ROM Version, Proceedings of a conference held exclusively on the Internet, November 7-December 2, 1994, ARInternet Corporation, Landover, MD, 1995. 

S. M. Bachrach, Proceedings of the Third Electronic Computational Chemistry Conference, Proceedings of a conference held 1-30 November 1996, in THEOCHEM, 419, Elsevier, Amsterdam, The Netherlands, 1997. 

At the time of writing the group at the University of Orleans have published new data on an expanded selection of chemical library providers. This information was part of the 10th Electronic Computational Chemistry Conference (ECCCIO) and is available only online ... 

Maslen, P. Factler, J. Parson, R. Electronic Structure of Solvated Molecular Anions, 1st Electronic Computational Chemistry Conference [CD-ROM] ARInternet Corp. Landover, MD, 1995 Paper 26. 

Fig. 1.4. A number of the speakers in the Theory and Apphcations of Computational Chemistry Conference (Gyeongju, Korea) whose pioneering efforts in the field cover all or most of the last 40 years. From left to right Michael L. Klein, Bjorn Roos, Jean-Louis Rivail, Pekka Pyykko, Keiji Morokuma, Rudolph A. Marcus, Enrico Clementi, Nicholas C. Handy, William H. Miller and Peter Pulay.

Margetic, D., Warrener, R.N. and Butler, D.N. (2002) Proximity effects A computational study of proton affinities of sesqui- and sester-7-azabicyclo[2.2.1]heptanes. Article 23,. The eight electronic computational chemistry conference (ECCC-8), Robert Q. Topper (Ed.), http //eccc8. cooper.edu. 

Agrafiotis, D. K., 3-rd Electronic Computational Chemistry Conference, http.7/hackberry.chem.niu.edu/ECCC3/paper48, 1996. 

In retrospect, we believe that Professor Mulliken was perhaps somewhat overstating his case in the remark quoted in the Introduction, concerning the status of computational chemistry in 1965. However, considered as a prophetic remark, the quotation certainly applies today, and it is a pleasure to dedicate this account to Professor Yngve Ohrn acknowledging his many important contributions to this development. These contributions include not only his own work on theoretical and computational approaches to central questions in chemistry, but also his continued engagement in the Sanibel Conferences and in the International Journal of Quemtum Chemistry. 

Boyd DB, Lipkowitz KB, History of the Gordon Research Conferences on Computational Chemistry. In Lipkowitz KB, Boyd DB, editors. Reviews in Computational Chemistry, Vol. 14. New York Wiley-VCH, 2000. p. 399-439. 

Pratt, L. R., and Rempe, S. B. (1999). Quasi-chemical theory and implicit solvent models for simulations. In Simulation and Theory of Electrostatic Interactions in Solution. Computational Chemistry, Biophysics, and Aqueous Solutions (L. R. Pratt and G. Hummer, eds.), vol. 492 of AIP Conference Proceedings, pp. 172-201. American Institute of Physics, Melville, NY... 

Jansen, G., Angyan, J. and Colonna, F., First European Conference on computational chemistry., (1994)... 

Donald B. Boyd and Kenny B. Lipkowitz, History of the Gordon Research Conferences on Computational Chemistry. 

Van Gunsteren, W. F. paper presented at First European Conference on Computational Chemistry, Nancy, France (May, 1994). 

G.A. Voth, Proton Transport in Aqueous and Biomolecular Systems, Conference on Current Trends in Computational Chemistry, Jackson, November 2002. 

As indicated in Table 1, the Canadian Symposia on Theoretical Chemistry (CSTC) have continued to flourish more than 30 years after the original conference organized by Fraser Birss and Serafin Fraga. Amid the splendid scenery of the Rockies, it was decided at the Seventh Canadian Symposium on Theoretical Chemistry in 1980 in Banff, Alberta, that the two cochairs should be chosen 6 years in advance. This policy has helped to facilitate future planning and to ensure the continuation of the strong traditions associated with the CSTC. Thus, at the symposium in 1995 in Fredericton, New Brunswick, Fred McCourt (University of Waterloo) and Jim Wright (Carleton University) were chosen to organize the fourteenth symposium in 2001, an auspicious date for computational chemistry. 

In recognition of the rapid expansion of computational chemistry in the 1980s, Andre Bandrauk and Andre Michel of the University of Sherbrooke organized the First Canadian Symposium on Computational Chemistry in May 1991 in Orford, Quebec. The conference included invited papers on dynamics, density functional methods, molecular modeling, Monte Carlo methods, and topics in quantum chemistry and statistical mechanics. About half of the invited speakers were from abroad (mostly from the United States). 

Fernando Bernardi and Jean-Louis Rivail, E.C.C.C. 1 Computational Chemistry, F.E.C.S. Conference in Nancy, France, May 1994, in AIR Conference Proceedings 330, AIP, Woodbury, NY, 1995. 

Fernando Bernardi and Fernando M. S. Silva Fernandes, Computational Chemistry 1997, A Selection of Papers from the Second European Conference, held 2-6 September 1997, Lisbon, Portugal, in THEOCHEM, 463 (1-2), Elsevier, Amsterdam, The Netherlands, 1999. 

This volume of Reviews in Computational Chemistry is of the same very high standard as previous volumes. The editors have played a key role in carving out the discipline of computational chemistry, having organized a seminal symposium in 1983 and having served as the chairmen of the first Gordon Conference on Computational Chemistry in 1986. Thus, they have a broad perspective on the field, and the articles in this and previous volumes reflect this. 

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