《分子結構雜志》致力于發表全文文章和綜述文章，提供所有類型化學物質的重要新結構信息，包括：?各種環境下的穩定和不穩定分子（蒸氣、分子束、液體、溶液、液晶、固態、基質隔離、表面吸收等）?化學中間體?激發態分子?生物分子?聚合物。所用方法可包括光譜和非光譜技術的任何組合，例如：?紅外光譜（中、遠、近）?拉曼光譜和非線性拉曼方法（CARS等）?電子吸收光譜法?旋光色散和圓二色性?熒光和磷光技術?電子光譜（PES、XPS）、Exafs等。?微波光譜學?電子衍射?核磁共振和ESR光譜?Mssbauer光譜學?X射線結晶學?電荷密度分析?力常數和分子力學計算（補充實驗方法）?量子化學方法（補充實驗方法）。我們鼓勵結合理論和實驗方法的出版物。研究獲得的結構見解應與被研究分子的性質、活性和/或反應性相關，并應討論該分子的相關性及其含義。重要提示：描述很少有結構意義的常規研究的論文（例如，僅涉及玻璃材料的手稿、使用顯微鏡技術描述粒子和材料的特征、報告基本上晶體數據的手稿、常規光譜研究和/或進行的理論結構分析）?；蚴枪铝⒌姆肿?，以及對市售化合物的常規光譜研究）是不可接受的。這同樣適用于手稿，主要集中在化學物質的合成過程或生物活性的評估上。僅僅理論研究更應該提交給計算化學和理論化學。

The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including:? Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.)? Chemical intermediates? Molecules in excited states ? Biological molecules ? Polymers.The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example:? Infrared spectroscopy (mid, far, near) ? Raman spectroscopy and non-linear Raman methods (CARS, etc.) ? Electronic absorption spectroscopy ? Optical rotatory dispersion and circular dichroism ? Fluorescence and phosphorescence techniques ? Electron spectroscopies (PES, XPS), EXAFS, etc. ? Microwave spectroscopy ? Electron diffraction ? NMR and ESR spectroscopies ? M?ssbauer spectroscopy ? X-ray crystallography? Charge Density Analyses? Force constant and molecular mechanics calculations (supplementing experimental methods)? Quantum chemical methods (supplementing experimental methods).We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.IMPORTANT NOTE: Papers describing routine studies of little structural significance (e.g. manuscripts dealing only with glassy materials, characterization of particles and materials by using microscopy techniques, those reporting essentially crystal data accompanied by routine spectroscopic studies and/or theoretical structure analysis performed for isolated molecules, and routine spectroscopy studies for commercially available compounds) are not acceptable. The same applies to manuscripts mainly focused on synthesis procedures or evaluation of bioactivity of chemical species. Solely theoretical studies should rather be submitted to Computational and Theoretical Chemistry.