| 1 |
Ab initio study of the relative basicity of the external oxygen sites in M2W4O194- (M = Nb and V)
Maestre JM, Sarasa JP, Bo C, Poblet JM
Inorganic Chemistry, 37(12), 3071, 1998 |
| 2 |
Ions in crystals : The topology of the electron density in ionic materials. III. Geometry and ionic radii
Pendas AM, Costales A, Luana V
Journal of Physical Chemistry B, 102(36), 6937, 1998 |
| 3 |
Characterization of the short strong hydrogen bond in benzoylacetone by ab initio calculations and accurate diffraction experiments. Implications for the electronic nature of low-barrier hydrogen bonds in enzymatic reactions
Schiott B, Iversen BB, Madsen GKH, Bruice TC
Journal of the American Chemical Society, 120(46), 12117, 1998 |
| 4 |
Multiple Metal Additions to C-60 - An Ab-Initio Study of (M(PH3)(2))C-N(60) (M=pt and Pd N=1, 2, and 6)
Bo C, Costas M, Poblet JM
Journal of Physical Chemistry, 99(16), 5914, 1995 |
| 5 |
Ab-Initio Studies of the Dimerizaton of Ketene and Phosphaketene
Salzner U, Bachrach SM
Journal of the American Chemical Society, 116(15), 6850, 1994 |
