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Please use this identifier to cite or link to this item: https://dspace.ffh.bg.ac.rs/handle/123456789/664
Title: On the relationship between molecular spectroscopy and statistical mechanics: Calculation of vibrational-rotational energy levels and partition functions in the ground electronic state of BC<inf>2</inf>
Authors: Senćanski, Milan V.
Stojanović, Ljiljana
Jerosimić, Stanka 
Radić-Perić, Jelena 
Perić, Miljenko 
Keywords: Partition functions;Vibrational-rotational energy
Issue Date: 1-Jan-2011
Journal: Journal of the Serbian Chemical Society
Abstract: 
The results of extensive ab initio calculations of the vibrational- rotational energy spectrum in the ground electronic state of the BC2 molecule are presented. These data were employed to discuss the evaluation of the corresponding partition functions. Special attention was paid to the problems connected with the calculation of the partition functions for the bending vibrations and rotations about the axis corresponding to the smallest moment of inertia. Copyright 2011 (CC) SCS.
URI: https://dspace.ffh.bg.ac.rs/handle/123456789/664
ISSN: 0352-5139
DOI: 10.2298/JSC101126053S
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University of Belgrade
Faculty of Physical Chemistry
Studentski trg 12-16
11158 Belgrade 118
PAC 105305
SERBIA
University of Belgrade Faculty of Physical Chemistry