|
O1-Ad |
O2-Ad |
O3-Ad |
Ti1-Ad |
Ti2-Ad |
Cav |
Y(4d15s2) |
-3.992 |
-3.991 |
-3.996 |
-3.991 |
-3.995 |
-2.780 |
Zr(4d25s2) |
-6.238 |
-6.544 |
-6.187 |
-6.245 |
-5.684 |
-7.045 |
Nb(4d45s1) |
-4.727 |
-4.725 |
-4.715 |
-4.726 |
-3.377 |
-4.888 |
Mo(4d55s1) |
-2.502 |
-2.394 |
-2.972 |
-2.396 |
-2.454 |
-2.989 |
Tc(4d55s2) |
-3.447 |
-3.448 |
-3.227 |
-3.449 |
-2.242 |
-3.314 |
Ru(4d75s1) |
-3.341 |
-3.339 |
-3.338 |
-3.340 |
-2.354 |
-2.554 |
Rh(4d85s1) |
-0.8964 |
-1.128 |
-1.364 |
-0.8950 |
-1.130 |
-0.2150 |
Pd(4d10) |
-1.381 |
-1.484 |
-1.434 |
-1.379 |
-1.483 |
-1.014 |
Ag(4d105s1) |
-0.5412 |
-0.9686 |
-0.9660 |
-0.5548 |
-0.5511 |
0.4253 |
Cd(4d105s2) |
-0.0847 |
-0.0953 |
-0.1657 |
-0.1661 |
-0.1035 |
2.376 |