Rotational spectroscopy has proved itself to be an invaluable tool for detecting small radicals and organic molecules in the interstellar medium. Unpaired electrons complicate rotational spectra from spin-rotation coupling and the torsions of methyl groups which couple to the molecular rotations. Presently, there exist methods for studying either of these complications but not both simultaneously. Thus preventing the laboratory analysis and the detection of small organic radicals with methyl rotors in space. This work presents a new Hamiltonian for accounting for spin-torsion interactions as well as the established spin-rotation and torsion-rotation terms for $C_{s}$ molecules. The program utilizes BELGI's two stage diagonalization process ...
It will be demonstrated how quantum-chemical calculations can be used to assist experimental investi...
Author Institution: Dipartimento di Chimica "G. Ciamician", Universita di Bologna, I-40126 Bologna, ...
All molecular system come with their own set of challenges for rotational spectroscopy, theoreticall...
The presently available tools of rotational spectroscopy do not provide a meaningful way to treat sm...
Author Institution: Department of Physics, Toyama UniversityMotivated by investigating how to develo...
Abstract Internal rotation in symmetric top molecules offers an excellent opportunity to investigate...
Author Institution: Department of Electronics and Computer Science, Toyama University; Department of...
Author Institution: Jet Propulsion Laboratory, California Institute of TechnologyThe general asymmet...
Author Institution: Department of Physical Sciences, University of New Brunswick; Department of Phys...
Author Institution: Chemistry Department, Rice UniversityA computer program for predicting the rotat...
$^{1}$E. B. Wilson, JR., J. C. Decius and P. C. Cross, ""Molecular Vibrations,"" McGraw-Hill, New Yo...
Author Institution: Department of Chemistry, University of Virginia, McCormick Rd., P.O. Box 400319,...
The two titled molecules have been studied in the past by one of us (RKB) and coworkers. Due to unas...
Thaddeus, Krisher, and Loubser, {\em J. Chem. Phys.Coudert and Lopez, {\em J.\ Mol.\ Spectrosc.This ...
Author Institution: Toyama University, Toyama 930, JapanA new analytic approach to the torsional-rot...
It will be demonstrated how quantum-chemical calculations can be used to assist experimental investi...
Author Institution: Dipartimento di Chimica "G. Ciamician", Universita di Bologna, I-40126 Bologna, ...
All molecular system come with their own set of challenges for rotational spectroscopy, theoreticall...
The presently available tools of rotational spectroscopy do not provide a meaningful way to treat sm...
Author Institution: Department of Physics, Toyama UniversityMotivated by investigating how to develo...
Abstract Internal rotation in symmetric top molecules offers an excellent opportunity to investigate...
Author Institution: Department of Electronics and Computer Science, Toyama University; Department of...
Author Institution: Jet Propulsion Laboratory, California Institute of TechnologyThe general asymmet...
Author Institution: Department of Physical Sciences, University of New Brunswick; Department of Phys...
Author Institution: Chemistry Department, Rice UniversityA computer program for predicting the rotat...
$^{1}$E. B. Wilson, JR., J. C. Decius and P. C. Cross, ""Molecular Vibrations,"" McGraw-Hill, New Yo...
Author Institution: Department of Chemistry, University of Virginia, McCormick Rd., P.O. Box 400319,...
The two titled molecules have been studied in the past by one of us (RKB) and coworkers. Due to unas...
Thaddeus, Krisher, and Loubser, {\em J. Chem. Phys.Coudert and Lopez, {\em J.\ Mol.\ Spectrosc.This ...
Author Institution: Toyama University, Toyama 930, JapanA new analytic approach to the torsional-rot...
It will be demonstrated how quantum-chemical calculations can be used to assist experimental investi...
Author Institution: Dipartimento di Chimica "G. Ciamician", Universita di Bologna, I-40126 Bologna, ...
All molecular system come with their own set of challenges for rotational spectroscopy, theoreticall...