Table 1. Distances (Å) and
angles (degrees) for D3h
[MH3M]+ and
[NgMH3MNg]+ cations, optimized at
the all-electron CCSD(T)/cc‑pVQZ level of theory. |
Table
1. Distances (Å) and angles
(degrees) for D3h
[MH3M]+ and
[NgMH3MNg]+ cations, optimized at
the all-electron CCSD(T)/cc‑pVQZ level of theory. |
Table
1. Distances (Å) and angles
(degrees) for D3h
[MH3M]+ and
[NgMH3MNg]+ cations, optimized at
the all-electron CCSD(T)/cc‑pVQZ level of theory. |
Table
1. Distances (Å) and angles
(degrees) for D3h
[MH3M]+ and
[NgMH3MNg]+ cations, optimized at
the all-electron CCSD(T)/cc‑pVQZ level of theory. |
Table
1. Distances (Å) and angles
(degrees) for D3h
[MH3M]+ and
[NgMH3MNg]+ cations, optimized at
the all-electron CCSD(T)/cc‑pVQZ level of theory. |
Table
1. Distances (Å) and angles
(degrees) for D3h
[MH3M]+ and
[NgMH3MNg]+ cations, optimized at
the all-electron CCSD(T)/cc‑pVQZ level of theory. |
M |
Ng |
rMM |
rMH |
rNgM |
θMHM |
Be |
|
1.672 |
1.451 |
|
70.37 |
Be |
He |
1.676 |
1.450 |
1.475 |
70.64 |
Be |
Ne |
1.679 |
1.451 |
1.702 |
70.71 |
Mg |
|
2.330 |
1.839 |
|
78.63 |
Mg |
He |
2.336 |
1.839 |
1.969 |
78.85 |