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Aims and scope

TCA publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling. Fundamental studies as well as applications are included in the scope. In many cases, theorists and computational chemists have special concerns which reach either across the vertical borders of the special disciplines in chemistry or else across the horizontal borders of structure, spectra, synthesis, and dynamics. TCA is especially interested in papers that impact upon multiple chemical disciplines.

TCA was founded in 1962 specifically to provide theoretical chemists with a high-quality, peer reviewed communication medium for their work. The TCA Brief Reports section guarantees review of manuscripts submitted for the Brief Reports section within two weeks of their receipt to meet the need for rapid publication. In response to the need for accounts that assist researchers in maintaining a perspective on important recent developments, TCA also publishes Mini Reviews, either of a coherent body of work or of an especially rapidly developing subfield of theoretical or computational chemistry. The Perspective article type denotes a scholarly review and discussion of the primary research literature that does not meet the criteria for a review article. This could be because the scope is too narrow, or because the piece is intended to provoke discussion of a controversial position, a speculative hypothesis, or alternative / complementary interpretations of existing work. Finally, TCA publishes regular articles (Research) reporting original work. Such articles contain full details of the theory and/or computations.

TCA encourages authors to take advantage of the opportunities offered by electronic publishing and maintains an internet archive for the viewing, storage, and downloading of supplementary material for papers published in TCA.