A correct description of the occupation of d‐orbitals in transition‐metal complexes is sometimes difficult to achieve by computational chemistry. Spin‐state consistent density functionals like S12g, often provide a straightforward route to the right answer for the right reason. The cover image depicts one of the sets of iron complexes used in the contribution by Marcel Swart and co‐workers in their article e26121, showing one of the highest occupied molecular orbitals. DOI: 1002/qua.26121

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封面图片，第120卷，第5期

有时很难通过计算化学来正确描述过渡金属配合物中d轨道的占据。像S12g这样的自旋态一致密度函数通常会为基于正确原因的正确答案提供直接途径。封面图像描绘了Marcel Swart及其同事在其文章e26121中的贡献中使用的一组铁配合物，显示了其中一个最高的分子轨道。DOI：1002 / qua.26121