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HCl: agust,www,....rempi/hcl/June11/PPT-031111ak.ppt agust,heima,...REMPI/HCl/June11/XLS-031111ak.xls.

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Presentation on theme: "HCl: agust,www,....rempi/hcl/June11/PPT-031111ak.ppt agust,heima,...REMPI/HCl/June11/XLS-031111ak.xls."— Presentation transcript:

1 HCl: agust,www,....rempi/hcl/June11/PPT-031111ak.ppt agust,heima,...REMPI/HCl/June11/XLS-031111ak.xls

2 H. Lefebvre-Brion, H.P. Liebermann and G.J. Vázquez, J. Chem. Phys., vol. 134, p: 204104 (2011): 87270.64 cm -1 3.0357 a.u. 1.606454 A ET0 v=083780 v=185919.8 v=288170 v=390432.7 Exp. values (Green): Diabatic curves: ET0 v=082202 v=185428 v=287597 v=389772 calc. values (Gabriel):

3 Crossing point for V and E diabatic states according to Gabriels paper (´11): x:4.735cm1.606454A3.035743au y:2.51cm87270.64cm-1 fy6880.734cm-1/cm fx0.641128au/cm0.339272A/cm f10.52918A/au agust,heima,...REMPI/HCl/June11/XLS-031111ak.xls:

4 H. Lefebvre-Brion, H.P. Liebermann and G.J. Vázquez, J. Chem. Phys., vol. 134, p: 204104 (2011): Te(E)Te(V)  Te(E-V)  Te(E)(calc-exp) DTe(V)(calc-exp) Gabriel10.289.660.62-0.1070.075eV Exp10.3879.5850.802eV Gabriel82913.7677913.135000.635-863.013604.9156cm-1 Exp83776.7777308.216468.564cm-1 agust,heima,...REMPI/HCl/June11/XLS-031111ak.xls:

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HCl, d 3  1 PC(AK)/C:,.....HCl-Triplet states-270108ak.ppt Agust,heima,...HCl-Potentials-270108ak.pxp Agust, heima,...HCl-Triplet states.xls PC(AK)/C:,.....Experiment-250108ej.pxp.

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HCl, potentials, E vs. V state crossing and evaluation of FCF (ca. Relative W12) agust,www,...hcl/June11/PPT ak.ppt agust,heima,....HCl/June11/PXP ak.pxp.
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