화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Benchmark configuration interaction spectroscopic constants for X-1 Sigma(+)(g) C-2 and X-1 Sigma(+) CN+
Leininger ML, Sherrill CD, Allen WD, Schaefer HF
Journal of Chemical Physics, 108(16), 6717, 1998
2 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
3 Dissociation-Energies and Heats of Formation of NH and Nh+
Tarroni R, Palmieri P, Mitrushenkov A, Tosi P, Bassi D
Journal of Chemical Physics, 106(24), 10265, 1997
4 2nd-Order Epstein-Nesbet Correction to Dynamic Configuration-Interaction Energies
Mitrushenkov AO
Journal of Chemical Physics, 105(23), 10487, 1996