Titlebook: Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry; A. Veillard Book 1986 D. Reidel Publishing Company, Dord

细节

Spectroscopic Studies of Copper Complexes,tes of ∑ symmetry dissociating into the d.s. and d.s. configurations were investigated for the copper-hydride molecule. Spectroscopic constants present an overall good agreement with experimental data. The complex behavior of the potential curves in the intermediate region is analyzed through a diab

CAB

Scandium Atom Interacting with Diatomic Groups,mical bonding of Sc with three representative diatomic groups is studied theoretically. The interaction with CO leads to repulsive, moderately attractive and strongly attractive bondings according to the d.s., d.s. and d. atomic configurations of Sc respectively. The single radical electron of CN in

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JIBE

Correlation Effects in the Ground and Ionized States of Transition Metal Complexes,ecies a redistribution of electron density occurs increasing the density on the metal atom compared to that given by a RHP wavefunction. The valence ionization energies of Ni(CN).., Co(CN).. and Fe(CN).. have been measured using X-ray emission spectroscopy. These data and the photoelectron spectrum

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煤渣

Quantitative Results and Qualitative Analysis by the Hartree-Fock-Slater Transition State Method,of methods ranging from calculations on the back of an envelope to computations on mainframe computers. The qualitative “back of the envelope” type of calculations have clearly had a profound influence not only on the field of transition metal chemistry as a whole, but also on practitioners of more

UNT

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