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Int. J. Mol. Sci. 2014, 15(11), 19662-19681;

Spectral Analysis of Two Coupled Diatomic Rotor Molecules

The Institute for Effective Thinking, Riverside, CA 95340, USA
Department of Physics, University of Arkansas, Fayetteville, AR 72701, USA
These authors contributed equally to this work.
Author to whom correspondence should be addressed.
Received: 21 July 2014 / Revised: 16 October 2014 / Accepted: 16 October 2014 / Published: 28 October 2014
(This article belongs to the Section Physical Chemistry, Theoretical and Computational Chemistry)
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In a previous article the theory of frame transformation relation between Body Oriented Angular (BOA) states and Lab Weakly Coupled states (LWC) was developed to investigate simple rotor–rotor interactions. By analyzing the quantum spectrum for two coupled diatomic molecules and comparing it with spectrum and probability distribution of simple models, evidence was found that, as we move from a LWC state to a strongly coupled state, a single rotor emerges in the strong limit. In the low coupling, the spectrum was quadratic which indicates the degree of floppiness in the rotor–rotor system. However in the high coupling behavior it was found that the spectrum was linear which corresponds to a rotor deep in a well. View Full-Text
Keywords: symmetry; molecular dynamics; BOA; coupled rotors symmetry; molecular dynamics; BOA; coupled rotors

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Crogman, H.T.; Harter, W.G. Spectral Analysis of Two Coupled Diatomic Rotor Molecules. Int. J. Mol. Sci. 2014, 15, 19662-19681.

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