| 1 |
Efficient real-space approach to time-dependent density functional theory for the dielectric response of nonmetallic crystals
Kootstra F, de Boeij PL, Snijders JG
Journal of Chemical Physics, 112(15), 6517, 2000 |
| 2 |
Rotation-vibration interactions in (HF)(2). I. Using parallel supercomputers to calculate rotation-vibration energy levels
Wu XT, McCoy AB, Hayes EF
Journal of Chemical Physics, 110(5), 2354, 1999 |
| 3 |
Rotation-vibration interactions in (HF)(2). II. Rotation-vibration interactions in low-lying vibrational states
Wu XT, Hayes EF, McCoy AB
Journal of Chemical Physics, 110(5), 2365, 1999 |
| 4 |
Ab initio calculation of the rotation-vibration energy levels of H-3(+) and its isotopomers to spectroscopic accuracy
Polyansky OL, Tennyson J
Journal of Chemical Physics, 110(11), 5056, 1999 |
| 5 |
Magnesium dicyanide: Three isomers or seven?
Petrie S
Journal of Physical Chemistry A, 103(13), 2107, 1999 |
| 6 |
Proton and deuteron spin-lattice relaxation times in HD-Ar mixtures : A combined experimental and theoretical study
Sabzyan H, Power WP, McCourt FRW
Journal of Chemical Physics, 108(15), 6170, 1998 |
| 7 |
An accurate ab initio HOCl potential energy surface, vibrational and rotational calculations, and comparison with experiment
Skokov S, Peterson KA, Bowman JM
Journal of Chemical Physics, 109(7), 2662, 1998 |
| 8 |
Molecular-Structure of Trifluorophosphine Tetraborane(8), B4H8Pf3, as Determined in the Gas-Phase by Electron-Diffraction and Ab-Initio Computations
Brain PT, Rankin DW, Robertson HE, Fox MA, Greatrex R, Nikrahi A, Buhl M
Inorganic Chemistry, 36(6), 1048, 1997 |
| 9 |
Refinement of the HeH2 Potential Surface Through Inversion of Nuclear-Spin Relaxation Data
Lazarides AA, Rabitz H
Journal of Chemical Physics, 106(17), 6999, 1997 |
| 10 |
Theoretical-Study of Vibrational Overtone Spectroscopy and Dynamics of Methanol
Halonen L
Journal of Chemical Physics, 106(19), 7931, 1997 |
