50多年來，TCA在理論化學、計算化學和建模等各個領域發表了高質量的論文。該雜志仍然是基礎研究和應用的首要論壇。在許多情況下，理論家和計算化學家都有特殊的關注點，這些關注點要么跨越化學專業的垂直邊界，要么跨越結構、光譜、合成和動力學的水平邊界。TCA對影響多個化學學科的論文特別感興趣。

For more than 50 years, TCA has published high-quality papers in all fields of theoretical chemistry, computational chemistry, and modeling. The journal continues to be a premier forum both for fundamental studies as well as applications. 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 such papers that impact upon multiple chemical disciplines.