JOURNAL OF MOLECULAR STRUCTURE

《分子结构杂志》致力于发表全文文章和综述文章，提供所有类型化学物质的重要新结构信息，包括：?各种环境下的稳定和不稳定分子（蒸气、分子束、液体、溶液、液晶、固态、基质隔离、表面吸收等）?化学中间体?激发态分子?生物分子?聚合物。所用方法可包括光谱和非光谱技术的任何组合，例如：?红外光谱（中、远、近）?拉曼光谱和非线性拉曼方法（CARS等）?电子吸收光谱法?旋光色散和圆二色性?荧光和磷光技术?电子光谱（PES、XPS）、Exafs等。?微波光谱学?电子衍射?核磁共振和ESR光谱?Mssbauer光谱学?X射线结晶学?电荷密度分析?力常数和分子力学计算（补充实验方法）?量子化学方法（补充实验方法）。我们鼓励结合理论和实验方法的出版物。研究获得的结构见解应与被研究分子的性质、活性和/或反应性相关，并应讨论该分子的相关性及其含义。重要提示：描述很少有结构意义的常规研究的论文（例如，仅涉及玻璃材料的手稿、使用显微镜技术描述粒子和材料的特征、报告基本上晶体数据的手稿、常规光谱研究和/或进行的理论结构分析）。或是孤立的分子，以及对市售化合物的常规光谱研究）是不可接受的。这同样适用于手稿，主要集中在化学物质的合成过程或生物活性的评估上。仅仅理论研究更应该提交给计算化学和理论化学。

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.