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On the increase of the vibrational atomic mean square cartesian displacements by complexation

✍ Scribed by Lothar Scha¨fer; S.J. Cyvin; J. Brunvoll

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
172 KB
Volume
15
Category
Article
ISSN
0009-2614

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✦ Synopsis

When a free molecule becomes a ligand in a complex molecule, the complex formation leads to an increase of the mean square cartesian displacements of its atoms. An explanation for this fundamental phenomenon is given. The increase in the mean square cartesian displacements by complexation can always be expected from vibrational contributions independent of whether or not the potential energy of the ligand is different compared to the free molecule.

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Effect of the increase of molecular comp
Effect of the increase of molecular complexity on statistical properties of vibrational spectra
✍ R. Cimiraglia; A. Ferretti; N.K. Rahman 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 438 KB

We present for the first time a study on the influence of the increase in the number of molecular vibrational degrees of freedom on level statistics. A model of three Morse oscillators coupled by Wilson terms has been considered for tetratomic molecules and the level statistics of its spectra have b