| 1 |
Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree-Fock and density functional methods : UF6, NpF6, and PuF6
Hay PJ, Martin RL
Journal of Chemical Physics, 109(10), 3875, 1998 |
| 2 |
An ab initio study of the monoxides and dioxides of sodium
Elliott SD, Ahlrichs R
Journal of Chemical Physics, 109(11), 4267, 1998 |
| 3 |
F-4(+) : A stable three-electron bonded complex and a challenge for standard ab initio computational methods
Hiberty PC, Berthe-Gaujac N
Journal of Physical Chemistry A, 102(18), 3169, 1998 |
| 4 |
A simple coupling scheme between Hartree-Fock and local spin-density functional theories
Kafafi SA, El-Gharkawy ERH
Journal of Physical Chemistry A, 102(18), 3202, 1998 |
| 5 |
Theoretical ab initio calculation of entropy, heat capacity, and heat content
DeTar DF
Journal of Physical Chemistry A, 102(26), 5128, 1998 |
| 6 |
Novel density functional methodology for the computation of accurate electronic and thermodynamic properties of molecular systems and improved long-range behavior
Kafafi SA
Journal of Physical Chemistry A, 102(50), 10404, 1998 |
| 7 |
Theoretical-Studies of Hydrogen Abstraction from 2-Propanol by Oh Radical
Luo N, Kombo DC, Osman R
Journal of Physical Chemistry A, 101(5), 926, 1997 |
| 8 |
Computational Study of C-H Bond Strengths in Polyfluoroalkanes
Marshall P, Schwartz M
Journal of Physical Chemistry A, 101(15), 2906, 1997 |
| 9 |
Photoelectron-Spectroscopy of the Ncn- and Hncn- Ions
Clifford EP, Wenthold PG, Lineberger WC, Petersson GA, Ellison GB
Journal of Physical Chemistry A, 101(24), 4338, 1997 |
| 10 |
Thermochemistry of Benzvalene, Dihydrobenzvalene, and Cubane - A High-Level Computational Study
Wang H, Law CK
Journal of Physical Chemistry B, 101(17), 3400, 1997 |
