Physical nature of silane⋯carbene dimers revealed by state‐of‐the‐art ab initio calculations
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26043
Abstract: Using the SAPT2 + 3(CCD)δMP2 method in complete basis set (CBS) limit, it is shown that the interactions in the recently studied silane⋯carbene dimers are mainly dispersive in nature. Consequently, slow convergence of dispersion energy also forces… read more here.
Keywords: mp2 method; carbene dimers; nature; silane carbene ... See more keywords