AM1-CI相关论文
本文通过对荣华二采区10...
Studies on Effect of Conformation on Spin Multiplicity of m-Phenylene Type of Biradicals by Differen
本文通过对荣华二采区10...
利用AM1-CI方法计算了构象对邻、间、对二取代苯双自由基体系基态自旋多重度及其稳定性的影响. 结果表明单 - 三重态能量差(△ES－T)......
Theoretical Design of High-spin Organic Molecules with-. N-S-as a Spin-containing Fragment and Heter
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7......
Theoretical Design of High-spin Organic Molecules with-. N-S-as a Spin-containing Fragment and Heter
Novel stable high-spin molecules possessing three different arranging fashions were designed with -(.) N-S-as a spin-con......
The singlet-triplet splitting energy gap △ES-T = ES- ET is calculated for the ortho-, meta-, and para-xylylenes and the......
