Next, clusters of 30 metal atoms were cut from the relaxed periodic slabs in an "inverted pyramid" configuration, as shown in The def2-SVP basis set was used for all cluster calculations. All-electron calculations were performed for Cu, whereas the ECPs associated with the Karlsruhe "def2" basis sets were used to represent the core electrons of the heavier atoms (Ag, Au, Pt, Rh). Counterpoise-corrected calculations were performed to assess the effects of basis set superposition error (BSSE) on the binding energies. BSSE-uncorrected calculations were performed using the ALMO-EDA scheme to decompose the interaction energies. The fragment spin alignment procedure introduced in Ref. 13 was disabled to aid with convergence. The classical decomposition of the frozen interaction with the modified Pauli repulsion term was used due to the use of ECPs, which restricts the availability of the orthogonal decomposition for metals heavier than Cu. The fragment-wise polarization and fragment-pairwise charge-transfer terms were calculated using the non-perturbative (variational) approaches, and the orbitalbased analyses of these terms were performed using complementary occupied-virtual pairs (COVPs) with a COVP threshold of 0.5 kJ/mol. ALMO-EDA calculations for C and CH 2 in both the singlet and triplet spin states were performed to assess the spin flip contributions. The geometric direct minimization (GDM) algorithm was used for the energy minimization of the electronic states involved in ALMO-EDA calculations, with a convergence criterion of 10 6 a.u. for the root-mean-square of the orbital rotation gradient.