Influence of heteroelement on dipole and quadrupole moments of a series of three-membered rings containing a second, third, fourth, or fifth-row atom: a theoretical investigation
Sign Up to like & getrecommendations! Published in 2018 at "Structural Chemistry"
DOI: 10.1007/s11224-018-1190-5
Abstract: 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… read more here.
Keywords: membered rings; rings containing; quadrupole moments; moments series ... See more keywords