Computational Chemistry List

This book grew out of a collection of technical-support web pages. Those pages were also posted to the computational chemistry list server maintained by the Ohio Supercomputer Center. Many useful comments came from the subscribers of that list. In addition, thanks go to Dr. James F. Harrison at Michigan State University for providing advice born of experience. 

There are several lists (formerly called electronic bulletin boards) available on the Internet where questions about computational chemistry can be asked and information exchanged freely. With the number of subscribers of these lists ranging from a few hundred to several thousand, usually there is someone willing to offer answers, including those from a beginner. The most famous of these lists, and broadest in terms of topics covered, is the Computational Chemistry List (CCL), which is administered by Dr. Jan K. Labanowski (presently at the University of Notre Dame). To post... 

Mayer I (1995) email to the Computational Chemistry List (CCL), 30 March 1995... 

The generous and knowledgeable people who subscribe to CCL, the computational chemistry list, an exceedingly helpful forum anyone seriously interested in the subject,... 

Electronic lists and newsgroups 322 Chemical Information List Server,CHMINF-L iubvm.ucs. indiana.edu (accessed Oct 13,2004). Computational Chemistry List, solvent discussion in archived messages of September 2003, chemistry ccl.net (accessed Nov 10,2004). 

Computational Chemistry List, solvent discussion in archived messages of September 2003, chemistry ccl.net (accessed Nov 10,2004). 

A rough sense of the size of the field of computational chemistry can be gained from an observation of an electronic mail network, called the Computational Chemistry List, which went into operation on January 11, 1991, at the Ohio Supercomputer Center. The list was created as a means of providing computational chemistry researchers an opportunity to exchange information and experience. Within a year, the list had 871 direct subscribers in 30 different countries, although because of the use of electronic-mail exploders at numerous institutions, the true number may have been well above 1000. Clearly, computational chemistry had caught on. 

Computational Chemistry List Archive Gopher Site, infomeister.osc.edu (accessed Nov 1996). 

CCL, the computational chemistry list. A truly extraordinarily helpful forum for exchanging ideas, asking questions and getting help. If you join the network you can expect typically 5-10 messages a day. 

Godbout, N., and Andzelm, J. (1999]. DGauss Version 2.0, 2.1, 2.3, 4.0 the file that contains the Al, A2 and PI auxiliary basis sets can be obtained from the CCL WWWsite at http //www.ccl.net/cca/data/basis-sets/DGauss/basis.v3.htmI (Computational Chemistry List, Ltd., Ohio). 

CCL. MMFF94 validation Suite. Computational Chemistry List, Ltd., Columbus, Ohio, USA, http //www.ccl.net/cca/data/MMFF94/(accessed 20/09/2012), 1999. 

Computational Chemistry List (CCL) with archives of mes-s es, programs, job and conference information... 

Of interest to computational chemists are several electronic bulletin boards. As already mentioned, the bulletin board called the Computational Chemistry List (CCL), which is administered from the Ohio Supercomputer Center (OSC), is devoted to computational chemistry in general. It is one of the largest and busiest with sometimes 10-20 messages per day. Messages posted on the CCL go out to more than 2000 addresses in more than 40 countries. The CCL has served as a forum for questions and discussion about all aspects of computational chemistry. The CCL was started in 1991 by Dr. Jan K. La-banowski and has been a free and valuable service to the conununity of computational chemists. Currently, the list is aiming to become financially self-supporting. 

Obituary posted on the Ohio Supercomputer Center (OSC) Computational Chemistry List (CCL) by A. J. Holder (Department of Chemistry, University of Missouri-Kansas City, e-mail aholder cctr.umkc.edu) on November 20,1997. See http //www.osc.edu/chemistry.html for archived messages. 

Computational Chemistry List A discussion forum for those Interested in computational chemistry http //www.osc.edu/chemistry... 

The 1990s witnessed other exciting technological developments. In 1991, Dr. Jan K. Labanowski, then an employee of the Ohio Supercomputer Center (Columbus, Ohio), launched an electronic bulletin board called the Computational Chemistry List (CCL). Computational chemists rapidly joined because it was free and an effective forum for informal exchange of information. Computational chemists at pharmaceutical companies were among the 2000 or so members who joined in the 1990s. Often these employees would... 

Arguably, the book Computer Simulations of Liquids by Allen and Tildesley is the bible of simulations. They have written an extensive library of FORTRAN codes that can be found in the Computational Chemistry List (http //www.ccl. net/cca/software/S OURCES/FORTR AN/ alien- tildesley-book/f.OO.shtml). 

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