1 |
Anharmonic force field, vibrational energies, and barrier to inversion of SiH3- Aarset K, Csaszar AG, Sibert EL, Allen WD, Schaefer HF, Klopper W, Noga J Journal of Chemical Physics, 112(9), 4053, 2000 |
2 |
On apparent quantized transition-state thresholds in the photofragmentation of acetaldehyde King RA, Allen WD, Schaefer HF Journal of Chemical Physics, 112(13), 5585, 2000 |
3 |
Noniterative energy corrections through fifth-order to the coupled cluster singles and doubles method Kucharski SA, Bartlett RJ Journal of Chemical Physics, 108(13), 5243, 1998 |
4 |
Sixth-order energy corrections with converged coupled cluster singles and doubles amplitudes Kucharski SA, Bartlett RJ Journal of Chemical Physics, 108(13), 5255, 1998 |
5 |
A comparison between the CISD[TQ] wave function and other highly correlated methods : Molecular geometry and harmonic vibrational frequencies of MgH2 Tschumper GS, Schaefer HF Journal of Chemical Physics, 108(18), 7511, 1998 |
6 |
The Cc3 Model - An Iterative Coupled-Cluster Approach Including Connected Triples Koch H, Christiansen O, Jorgensen P, Demeras AM, Helgaker T Journal of Chemical Physics, 106(5), 1808, 1997 |
7 |
Extended Ab-Initio Studies of the Vinylidene-Acetylene Rearrangement Chang NY, Shen MY, Yu CH Journal of Chemical Physics, 106(8), 3237, 1997 |
8 |
The Prediction of Molecular Equilibrium Structures by the Standard Electronic Wave-Functions Helgaker T, Gauss J, Jorgensen P, Olsen J Journal of Chemical Physics, 106(15), 6430, 1997 |
9 |
The Weakly-Bound Dinitrogen Tetroxide Molecule - High-Level Single Reference Wave-Functions Are Good Enough Wesolowski SS, Fermann JT, Crawford TD, Schaefer HF Journal of Chemical Physics, 106(17), 7178, 1997 |
10 |
Externally Corrected Singles and Doubles Coupled-Cluster Methods for Open-Shell Systems Li XZ, Peris G, Planelles J, Rajadall F, Paldus J Journal of Chemical Physics, 107(1), 90, 1997 |