Potentiometric and spectroscopic characterization of uridine and its derivatives complexes. [PDF]
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The 130 to 375 GHz Rotational Spectroscopy of <i>s</i>-<i>trans</i>-(<i>Z</i>)-1-Cyano-1,3-butadiene (C<sub>5</sub>H<sub>5</sub>N): Analysis of the Lowest-Energy Vibrationally Excited Dyad (ν<sub>19</sub> and ν<sub>27</sub>). [PDF]
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Beyond Hydrogen Bonding: π···π Stacking Directed Self-Assembly of Carboxylic Acid Clusters in the Gas Phase. [PDF]
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Rovibrational energies and spectroscopic constants for H2O−Ng complexes
Journal of Molecular Modeling, 2014In this work, rovibrational energies and spectroscopic constants for the water -Ng complexes (Ng = He, Ne, Ar, Kr and Xe) were calculated through two different approaches (by solving the Nuclear Schrödinger equation and by applying the Dunham's method) and using two different potential energy curves (PEC).
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Spectroscopic constants and molecular properties of diatomic carbides
Journal of Molecular Spectroscopy, 2004Abstract Spectroscopic constants and molecular properties of the diatomic carbides BeC, BC + , BC, NaC, and MgC in their ground states have been studied in detail using hybrid HF/DF B3LYP method. The effect of basis set on spectroscopic constants and molecular properties have been studied systematically with the improvement of the quality of the ...
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Equilibrium structure and spectroscopic constants of maleic anhydride
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