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The influence of heteroelements on the molecular dipole and traceless quadrupole moments of a series of twenty-two three-membered rings (1–22) was theoretically estimated employing levels of theory such as MP2, CCSD, and PBE1PBE in combination with standard Pople’s basis set. To an accurate evaluation of these properties, additional calculations on the optimized geometries were performed using the...
Three-membered heterorings have received a great interest for the design of organic reactions and new active therapeutic agents. However, there is little information available in the literature about their structural properties, in particular for those containing third, fourth, and fifth row elements. With this in mind, structure, bonding, ring strain, and Mulliken charge distribution of a series...
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