本数据集为不对称SCN钳形钯环的合成、催化及理论研究补充信息，涵盖配体合成、钯环形成的C-H活化过程、催化活性测试及密度泛函理论与AIM方法分析结果，包含1份文档文件。 论文“A synthetic, catalytic and theoretical investigation of an unsymmetrical SCN pincer palladacycle”
2001 geometries of (10-phenylacridin-9(10H)-ylidene)malononitrile in xyz format and reference TDDFT (ωB97XD/def2-SVP) values for 30 excitation energies and oscillator strengths at each geometry. Geome
本数据集围绕两种不同物候特化程度的蝴蝶（Anthocharis cardamines和Pieris napi）越冬后蛹发育热反应规范的纬度变异展开，揭示温带昆虫发育热反应规范的纬度梯度现象，对比两种蝴蝶的梯度变异模式（协同梯度变异）及其背后可能的物候适应机制。 Dryad数据集（对应论文：Latitudinal variation in thermal reaction norms of post
An automated and broadly applicable workflow for the description of solvation effects in an explicit manner is introduced. This method, termed quantum cluster growth (QCG), is based on the semiempiric
