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Stable and Unstable Rovibrational States of a Molecule

100%
Konarski J.
Acta Physica Polonica A
|
1999
|
vol. 96
|
issue 3-4
353-357
EN
Stability of motions for different potential functions describing vibrational motions of rotating molecule has been discussed. It was shown that an equilibrium position for nonrotating r_{0} and rotating r_{J} molecules for almost all the examined potentials is a node, but for the molecule described by the soft body model a critical value of rotation quantum number J_{c} occurs above which r_{0} is a saddle point, and the stable motion may occur only around r_{J}.
2
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Modified Kratzer-Fues Formula for Rotation-Vibration Energy of Diatomic Molecules

63%
Molski M., Konarski J.
Acta Physica Polonica A
|
1992
|
vol. 82
|
issue 6
927-936
EN
An extension of the Kratzer-Fues approach to analytical calculation of the rotation-vibration energy of diatomic molecules is proposed. The eigen-values from this approach are applied in calculation of the rotational and rovibrational energies and in evaluation of molecular constants of selected diatomic molecules, resulting in satisfactory reproduction of experimental frequencies over a wide range of rotational states. In contrast to our previous proposition the rotational dependence of vibration energy is taken into account. An additional set of fitted parameters which include equilibrium distance and dissociation constant was also employed.
3
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Expansion of the Rotational Energy of Diatomic Molecules into a Continued Fraction

63%
Molski M., Konarski J.
Acta Physica Polonica A
|
1992
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vol. 81
|
issue 4-5
495-501
EN
A new expansion of the rotational energy of diatomic molecules, in the form of a continued fraction has been investigated. The considered formula is applied in calculation of molecular constants and reproduction of rotational spectra of rigid-, semirigid- and van der Waals-type molecules. A physical interpretation of semiempirical expansion parameters is proposed and a connection between the method considered and the Dunham approach is also discussed.
4
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Influence of the Molecular Shape on Its Thermodynamic Functions

63%
Lewandowska A., Konarski J.
Acta Physica Polonica A
|
2008
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vol. 113
|
issue 4
1111-1115
EN
Free energy and entropy were calculated for molecules of different shapes in gas phase and under small pressure. The values of the thermodynamic functions were found strongly dependent on the molecular shape. The results obtained were applied to predict the route of internal energy deactivation as well as the preferred form of the molecules examined.
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