화학공학소재연구정보센터
검색결과 : 30건
No. Article
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