| 1 |
A density functional theory study on the H2S molecule adsorption onto small gold clusters
Kuang XJ, Wang XQ, Liu GB
Applied Surface Science, 257(15), 6546, 2011 |
| 2 |
All-Electron Scalar Relativistic Calculation on the Adsorption of Carbon Monoxide onto Small Gold Clusters
Kuang XJ, Wang XQ, Liu GB
Catalysis Letters, 137(3-4), 247, 2010 |
| 3 |
Molecular structures of M-2(CO)(9) and M-3(CO)(12) (M = Fe, Ru, Os): New theoretical insights
Hunstock E, Mealli C, Calhorda MJ, Reinhold J
Inorganic Chemistry, 38(22), 5053, 1999 |
| 4 |
A density functional study of [2+3] versus [2+2] addition of ethylene to chromium-oxygen bonds in chromyl chloride
Torrent M, Deng LQ, Ziegler T
Inorganic Chemistry, 37(6), 1307, 1998 |
| 5 |
Nature and strength of metal-chalcogen multiple bonds in high oxidation state complexes
Gonzalez-Blanco O, Branchadell V, Monteyne K, Ziegler T
Inorganic Chemistry, 37(8), 1744, 1998 |
| 6 |
Calculation of DFT-GIAO NMR shifts with the inclusion of spin-orbit coupling
Wolff SK, Ziegler T
Journal of Chemical Physics, 109(3), 895, 1998 |
| 7 |
A Theoretical-Study of Complexes MH(X)(2-) and MCL(Y)(2-) in Crystalline A(2)MH(X) and A(2)MCL(Y) Compounds (A Equals Alkali, Alkaline-Earth, M=ni, Pd, Pt, X=2, 4, 6, Y=4, 6)
Liao MS, Zhang QE
Inorganic Chemistry, 36(3), 396, 1997 |
| 8 |
A Density-Functional and Thermochemical Study of M-X Bond Lengths and Energies in (Mx6)(2-) Complexes - LDA Versus Becke88/Perdew86 Gradient-Corrected Functionals
Deeth RJ, Jenkins HD
Journal of Physical Chemistry A, 101(26), 4793, 1997 |
| 9 |
The Chemical Nature of Atomic Oxygen Adsorbed on Rh(111) and Pt(111) - A Density-Functional Study
Chen M, Bates SP, Vansanten RA, Friend CM
Journal of Physical Chemistry B, 101(48), 10051, 1997 |
| 10 |
A Density-Functional Study of Nickel(II) Diimide Catalyzed Polymerization of Ethylene
Deng LQ, Margl P, Ziegler T
Journal of the American Chemical Society, 119(5), 1094, 1997 |
