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Table 3

Properties of the (VO)N, (VO2)N,N = 1–10, and(V2O5)N,N = 1–4 GM candidates listing (1) cluster size, (2) electronic binding energy Eb (in kJ mol−1 ), (3) electric binding energy normalized to cluster size Eb/N (in kJ mol−1 ), (4) spin multiplicity Ms , (5) point group symmetry in the Schönflies notation, and (6) average VO bond length d¯(VO)$\bar d\left( {{\rm{VO}}} \right)$ in Å.

N Eb (kJ mol−1 ) Eb/N Ms Sym d¯(VO)$\bar d\left( {{\rm{VO}}} \right)$ (Å)
(VO)N
1 636 636.0 4 Cv 1.579
2 1497 748.5 7 C2v 1.840
3 2417 805.6 4 C2v 1.814
4 3320 830.0 5 C2v 1.901
5 4280 856.0 4 Cs 1.943
6 5314 885.6 7 Cs 1.940
7 6393 913.3 4 C1 1.945
8 7253 906.6 3 C1 1.951
9 8180 908.8 4 Cs 1.959
10 9014 901.4 1 C1 1.931
(VO2)N
1 1150 1150.0 2 C2v 1.612
2 2671 1335.5 1 C2v 1.729
3 4330 1443.3 2 Cs 1.828
4 5901 1475.3 5 C2v 1.841
5 7460 1492.0 4 C1 1.841
6 9055 1509.2 5 Cs 1.829
7 10 670 1524.3 6 Cs 1.826
8 12 177 1522.1 5 C1 1.826
9 13 706 1522.8 8 C1 1.819
10 14 907 1490.7 1 C1 1.832
(V2O5)N
1 3198 3198.0 1 Cs 1.731
2 7025 3512.5 1 Td 1.740
3 10 670 3556.6 1 C2v 1.731
4 14 315 3578.8 1 Td 1.725

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