内容简介：
【内容简介】 Coming in 2005, the Journal of Chemical Theory and Computation will publish papers reporting new theories, methodology, and/or important applications in quantum chemistry, molecular dynamics, and statistical mechanics.
Specific topics include: advances in ab initio quantum mechanics density functional theory design and properties of new materials surface science Monte Carlo simulations solvation models QM/MM calculations biomolecular structure prediction molecular dynamics in the broadest sense including gas-phase dynamics, biomolecular dynamics, and protein folding
Editor: William L. Jorgensen Department of Chemistry Yale University P.O. Box 208107 New Haven, CT 06520-8107 Telephone: (203) 432-4118 E-mail: jctc@yale.edu
American Chemical Society Member & Subscriber Services PO Box 3337, Columbus, OH, 43210, USA 1-800-333-9511 (US & Canada) 614-447-3776 (outside the US & Canada) Fax: 614-447-3671 E-mail: service@acs.org
