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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 51, 1984 - Issue 6
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Original Articles

Vibrational effects on properties of spherical tops

Pages 1423-1428 | Received 05 Oct 1983, Accepted 28 Nov 1983, Published online: 26 Oct 2007
 

Abstract

A formula for the expectation value of a property surface in a vibrational state of an XY 4 or XY 6 spherical top is presented. Rotational corrections to properties in the ground vibrational state are also given. The formulas are relevant to the calculation of isotope shifts and temperature dependence of properties, e.g. the nuclear shieldings of isotopically substituted methanes.

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