名称：
Journal of Chemical Theory and Computation.
http://pubs.acs.org/journals/jctcce/index.html

Announcing a new journal coming in January 2005:
Journal of Chemical Theory and Computation
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.

Topics include:

advances in ab initio quantum mechanics
density functional theory
design
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, ab
initio dynamics, biomolecular dynamics, and protein folding




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