共 65 条
ROTATIONALLY INELASTIC AND BOUND-STATE DYNAMICS OF H-2-OH(X(2)PI)
被引:45
作者:

MILLER, SM
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UNIV BIELEFELD, DEPT CHEM, W-4800 BIELEFELD, GERMANY UNIV BIELEFELD, DEPT CHEM, W-4800 BIELEFELD, GERMANY

CLARY, DC
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UNIV BIELEFELD, DEPT CHEM, W-4800 BIELEFELD, GERMANY UNIV BIELEFELD, DEPT CHEM, W-4800 BIELEFELD, GERMANY

KLIESCH, A
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UNIV BIELEFELD, DEPT CHEM, W-4800 BIELEFELD, GERMANY UNIV BIELEFELD, DEPT CHEM, W-4800 BIELEFELD, GERMANY

WERNER, HJ
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UNIV BIELEFELD, DEPT CHEM, W-4800 BIELEFELD, GERMANY UNIV BIELEFELD, DEPT CHEM, W-4800 BIELEFELD, GERMANY
机构:
[1] UNIV BIELEFELD, DEPT CHEM, W-4800 BIELEFELD, GERMANY
关键词:
D O I:
10.1080/00268979400101341
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
Rotationally inelastic scattering cross-sections and van der Waals rovibrational spectra of the H-2-OH system are calculated using two ab initio potential surfaces. The scattering calculations give similar results when both ab initio potentials are used, and show quite good agreement with available experimental data. The van der Waals bound states and rovibrational spectra show interesting similarities and differences when compared with the related and well studied Ar-OH and H-2-HF systems. Aspects of the spectra calculated using two ab initio potentials show marked differences, and suggest that experimental studies of the far infrared or near infrared spectra of H-2-OH will be worthwhile.
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页码:405 / 428
页数:24
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