화학공학소재연구정보센터
검색결과 : 43건
No. Article
1 Brillouin-Wigner based multi-reference perturbation theory for electronic correlation effects
Wenzel W, Steiner MM
Journal of Chemical Physics, 108(12), 4714, 1998
2 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
3 The spectrum of antimony hydride : An ab initio configuration interaction study employing a relativistic effective core potential
Alekseyev AB, Liebermann HP, Lingott RM, Bludsky O, Buenker RJ
Journal of Chemical Physics, 108(18), 7695, 1998
4 The electron-spin magnetic moments (g factors) of O-3(-), O3Li, and O3Na : An ab initio study
Bruna PJ, Grein F
Journal of Chemical Physics, 109(21), 9439, 1998
5 Theoretical investigation of the low-lying electronic states of dioxirane : Ring opening to dioxymethane and dissociation into CO2 and H-2
Anglada JM, Bofill JM, Olivella S, Sole A
Journal of Physical Chemistry A, 102(19), 3398, 1998
6 Ab initio calculation of proton-hydrocarbon scattering cross sections
Buenker RJ, Li Y, Hirsch G, Kimura M
Journal of Physical Chemistry A, 102(36), 7127, 1998
7 UV and photoelectron spectrum of carbonyl fluoride, F2CO. Multireference configuration interaction studies in C-2 nu symmetry
Grein F
Journal of Physical Chemistry A, 102(52), 10869, 1998
8 Ab-Initio Configuration-Interaction Calculations of the Predissociation of Rovibrational Levels of the C(3)Pi(G) and D(1)Pi(G)3S-Sigma Rydberg States of the Oxygen Molecule
Li Y, Petsalakis ID, Liebermann HP, Hirsch G, Buenker RJ
Journal of Chemical Physics, 106(3), 1123, 1997
9 Photoinduced Charge-Transfer Dissociation in Van-der-Waals Complexes .5. Na-Center-Dot-Center-Dot-Center-Dot-Xch(3) (X=f, Cl, and Br)
Chang XY, Ehlich R, Hudson AJ, Polanyi JC, Wang JX
Journal of Chemical Physics, 106(10), 3988, 1997
10 Some Properties of the Lower Electronic States for Nonlinear He-3(+) Clusters
Gianturco FA, Delaracastells MP, Schneider F
Journal of Chemical Physics, 107(5), 1522, 1997