HM+ and HM+‑He (M = Group 2 metal): Chemical or physical interactions?
نویسندگان
چکیده
منابع مشابه
HM⁺ and HM⁺‑He (M = Group 2 metal): chemical or physical interactions?
We investigate the HM(+)‑He complexes (M = Group 2 metal) using quantum chemistry. Equilibrium geometries are linear for M = Be and Mg, and bent for M = Ca-Ra; the explanation for this lies in the differing nature of the highest occupied molecular orbitals in the two sets of complexes. The difference primarily occurs as a result of the formation of the H-M(+) bond, and so the HM(+) diatomics ar...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2014
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4894227