On Some Theoretical Aspects of the 1-Type Doubling Constant qe: Application to XYZ (C∞V) Type Molecules
The relationship between the 1-type doubling constant qe and the centrifugal distortion constant De and the range of real values of qe for XYZ (C∞v) type molecules, is derived in detail. The experimental value of qe for many molecules is found to be in the neighbourhood of its minimum. The usefulness of qe in fixing a unique and accurate force field for XYZ (C∞v)type molecules is also discussed. A brief discussion of the nature of the errors arising due to the use of Dv , BV and υi in the calculation (for qe) is presented. The study of the mass effect on qe is also reported.
1994 ◽
Vol 72
(11-12)
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pp. 1043-1050
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2001 ◽
Vol 3
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pp. 1570-1575
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1978 ◽
Vol 33
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pp. 45-54
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1965 ◽
Vol 42
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pp. 2927-2933
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1978 ◽
Vol 33
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pp. 571-580
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2021 ◽
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2020 ◽
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