ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
The potential energy curves of the bending mode of PH2 in the ground 2B1 and the excited 2A1 states have been calculated using ab initio SCF-MO wave-functions. The radical is found, in agreement with experiment, to be bent in the two states. The calculated results clarify the interpretations of the anomalous behaviour of observed vibrational intervals, and offer an explanation of the ‘quasilinearity’; of the radical in the 2A1 state.
Zusätzliches Material:
1 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560110107
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