Electronic structure and x-ray and photoelectron spectra of chromium, molybdenum, and nickel carbonyls

[1]  D. Lichtenberger,et al.  Vibrational fine structure in the valence ionizations of transition metal hexacarbonyls: new experimental indication of metal-to-carbonyl .pi. bonding , 1982 .

[2]  A. Rossi,et al.  Optimized exponents for nickel atom 4s and 4p orbitals obtained from ab initio molecular orbital calculations on tetracarbonylnickel , 1981 .

[3]  B. Bursten,et al.  X.alpha.-SW studies of metal-ligand back-bonding in metal carbonyls: 2.pi. or not 2.pi.? , 1980 .

[4]  M. Trzhaskovskaya,et al.  Photoionization cross sections and photoelectron angular distributions for x-ray line energies in the range 0.132–4.509 keV targets: 1 ≤ Z ≤ 100 , 1979 .

[5]  M. Braga,et al.  Back donation in Ni(CO)4: Comments on papers by K. H. Johnson and by K. H. Johnson and U. Wahlgren , 1979 .

[6]  L. Cederbaum,et al.  Strong Correlation Effects in inner Valence Ionization of N2 AND CO , 1977 .

[7]  W. Klemperer,et al.  A molecular orbital analysis of electronic structure and bonding in chromium hexacarbonyl , 1977 .

[8]  P. Bagus,et al.  Origin of satellite structure in the valence x-ray photoelectron spectrum of CO: A theoretical study , 1977 .

[9]  H. Adachi,et al.  Approximate self-consistent-field Hartree—Fock—Slater calculations of the ionization energies for Ni(CO)4 , 1977 .

[10]  M. Karplus,et al.  The calculation of one-electron properties from Xα multiple scattering wavefunctions , 1976 .

[11]  E. Baerends,et al.  The electronic structure of transition metal carbonyl complexes , 1975 .

[12]  J. G. Norman.  SCF‐X αSW calculations on PH3 using a nonempirical scheme for choosing overlapping‐sphere radii , 1974 .

[13]  D. R. Lloyd,et al.  Ab initio calculations of transition metal complexes , 1974 .

[14]  A. Veillard,et al.  Electronic structure of the nickel tetracyanonickelate Ni(CN)42− and nickel carbonyl Ni(CO)4. An ab-initio LCAO-MO-SCF calculation , 1973 .

[15]  D. R. Lloyd,et al.  Photoelectron studies of metal carbonyls. Part 2.—The valence region photoelectron spectra of the group VIA hexacarbonyls , 1973 .

[16]  K. Schwarz.  Optimization of the Statistical Exchange Parameter α for the Free Atoms H through Nb , 1972 .

[17]  I. H. Hillier,et al.  Ab initio molecular orbital calculations of transition metal complexes. I. The electronic structure of nickel tetracarbonyl and chromium hexacarbonyl , 1971 .

[18]  J. C. Green,et al.  Photoelectron spectra of trifluorophosphine and its complexes Ni(PF3)4 and Pt(PF3)4 , 1970 .

[19]  F. Cotton,et al.  K X‐Ray Absorption Edges of Cr, Mn, Fe, Co, Ni Ions in Complexes , 1957 .

[20]  B. Post,et al.  The crystal structure of nickel carbonyl, Ni(CO)4 , 1952 .