The AdNDP approach is an ideal tool for deciphering the nature of bond localization and delocalization in clusters; in short it takes advantage of the electron pair as the unit of chemical bonding by partitioning the elec- tron density matrix into nc− 2e terms (n ranges from 1 to the ...
On the basis of these advances, we proposed a favourable configuration (Fig. 5c, Config. A) for key intermediate I, as depicted in Fig. 5c; this configuration avoids the steric repulsion between the tosyl aniline component and the binaphthyl skeleton (Fig. 5c, Config. B). Because the ...
boiling point 2,963 °C (5,365 °F) specific gravity 12.02 (0 °C [32 °F]) oxidation states +2, +4 electron configuration [Kr]4d10The Editors of Encyclopaedia Britannica This article was most recently revised and updated by Amy Tikkanen.platinum group Table...
core–shell, Janus-type and ball-cup found that the Ir(core)–Pd(shell) configuration is the most stable at small Ir content [26]. These findings are consistent with the higher cohesive and surface energies of
The electronic energy gap (Egap) reflects the energy cost for an electron to jump from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO). A largeEgapusually correlates with remarkable kinetic stability. The calculated values of HOMO–LUMO energy gaps fo...