| 1 |
The ab initio model potential method: Third-series transition metal elements
Casarrubios M, Seijo L
Journal of Chemical Physics, 110(2), 784, 1999 |
| 2 |
Theoretical study of the Q and B bands of free-base, magnesium, and zinc porphyrins, and their derivatives
Hashimoto T, Choe EK, Nakano H, Hirao K
Journal of Physical Chemistry A, 103(12), 1894, 1999 |
| 3 |
Analytic energy gradients for multiconfigurational self-consistent field second-order quasidegenerate perturbation theory (MC-QDPT)
Nakano H, Hirao K, Gordon MS
Journal of Chemical Physics, 108(14), 5660, 1998 |
| 4 |
Ab initio spin-free-state-shifted spin-orbit configuration interaction calculations on singly ionized iridium
Rakowitz F, Casarrubios M, Seijo L, Marian CM
Journal of Chemical Physics, 108(19), 7980, 1998 |
| 5 |
A new interpretation of the bonding and spectroscopy of the tetraoxoferrate(VI) FeO42- ion
Al-Abdalla A, Seijo L, Barandiaran Z
Journal of Chemical Physics, 109(15), 6396, 1998 |
| 6 |
Efficient truncation strategies for multi-reference configuration interaction molecular energies and properties
Palmieri P, Tarroni R, Mitrushenkov AO, Rettrup S
Journal of Chemical Physics, 109(17), 7085, 1998 |
| 7 |
On the electronic absorption spectrum of Cr4+ in Rb2CrF6
Pascual JL
Journal of Chemical Physics, 109(24), 11129, 1998 |
| 8 |
(X)over-tilde(3)B(1), (a)over-tilde(1)A(1), (b)over-tilde(1)B(1), and (c)over-tilde(1)Sigma(+)(g) electronic states of NH2+
Stephens JC, Yamaguchi Y, Sherrill CD, Schaefer HF
Journal of Physical Chemistry A, 102(22), 3999, 1998 |
| 9 |
On the mechanism of the spin-nonconserving chemical reaction O(P-3)+HCCH -> CH2((a)over-tilde(1)A(1))+CO(X-1 Sigma(+)). I. Feasibility
Yarkony DR
Journal of Physical Chemistry A, 102(27), 5305, 1998 |
| 10 |
The (3)A(2), (1)A(2), B-3(2), and B-1(2) Electronic States of CH2 - Small Bond-Angle States
Yamaguchi Y, Schaefer HF
Journal of Chemical Physics, 106(5), 1819, 1997 |
