The bonding capabilities of transition metal clusters

Electron-deficient alkyl complexes of transition metals sometimes exhibit striking structures in which the alkyl group is distorted in such a way that a C-...

JW Lauher - 《Journal of the American Chemical Society》

Density functional theory and molecular bonding. III. Iron‐series dimers

Binding energy curves for low‐lying states of the 3d‐dimers K2–Cu2have been calculated using the density functional formalism with a local spin‐density...

J Harris，RO Jones - 《Journal of Chemical Physics》

The interaction of atomic hydrogen with Ni, Pd, and Pt clusters

Electronic structures of small Ni, Pd, and Pt clusters containing atomic hydrogen have been calculated by the SCF Xα SW method, including relativistic eff...

RP Messmer，DR Salahub，KH Johnson，... - 《Chemical Physics Letters》

Synthesis and molecular geometry of hexameric triphenylphosphinocopper(I) hydride and the crystal structure of H6Cu6(PPh3)6·HCONMe 2

The thermally stable phosphinocopper(I) hydride cluster H6Cu6(PPh3)6 has been prepared from the reaction of (PPh3CuCl)4 and sodium trimethoxyborohydride in dimethylformamide (DMF). It crystallizes from DMF as H6Cu6(PPh3)6·DMF in the cen...

MR Churchill，SA Bezman，JA Osborn，... - 《Inorganic Chemistry》

Electronic structures of layer and chain elements by a local orbital method

The chemical pseudopotential approach is used to calculate the interactions between localized orbitals in As, Se, Sb and Te. Good agreement is obtained with electron band structures calculated by other methods. The density of states in a...

Bullett，D. W - 《Philosophical Magazine》

Electronic structure of Chevrel-phase high-critical-field superconductors

Using muffin-tin orbitals and the atomic-sphere approximation, we have studied the band structures of Chevrel-phase molybdenum chalcogenides, MmMo6X8-x. Ge...

OK Andersen，W Klose，H Nohl - 《Physical Review B Condensed Matter》

Synthesis and structural characterization of platinum carbonyl cluster dianions bis,tris,tetrakis, or pentakis(tri-.mu.2-carbonyl-tricarbonyltriplatinum)(2-). New series of inorganic oligomers

synthesis and structural characterization of platinum carbonyl cluster dianions bis,tris,tetrakis, or pentakis(tri-.mu.2-carbonyl-tricarbonyltriplatinum)(2-). new series of inorganic oligomers

Joseph，C.，Calabrese，... - 《Journal of the American Chemical Society》

Electron losses for adsorbed CO

Electron energy loss data on Pt (100) surface saturated with CO are presented in N( E) form, and confirm the presence of a 6 eV loss, in addition to the on...

FP Netzer，RA Wille，JAD Matthew - 《Solid State Communications》

Synthesis and molecular geometry of hexameric triphenylphosphinocopper(I) hydride and the crystal structure of H6Cu6(PPh3)6. HCONMe2 [hexameric triphenylphosphino copper(I) hydride dimethylformamide]

Synthesis and molecular geometry of hexameric triphenylphosphinocopper(I) hydride and the crystal structure of H6Cu6(PPh3)6. HCONMe2 [hexameric triphenylphosphino copper(I) hydride dimethylformamide] - ResearchGate

MR Churchill，SA Bezman，JA Osborn，... - 《Inorganic Chemistry》

A physicist's view of the energetics of transition metals

It has taken nearly fifty years since the classic work of Wigner and Seitz1 on the cohesion of monovalent sodium for their 10% accuracy in the cohesive energy, equilibrium lattice constant and bulk modulus to be attained amongst the poly...

Pettifor，D.G. - 《Calphad-computer Coupling of Phase Diagrams & Thermochemistry》