Rotational constants of linear and/or bent Cn+1H+ and CnN+(n=1–6): A DFT study

Author:

Aoki Kozo

Publisher

Elsevier BV

Subject

Space and Planetary Science,Aerospace Engineering,General Earth and Planetary Sciences,Atmospheric Science,Geophysics,Astronomy and Astrophysics

Reference13 articles.

1. Density-functional thermochemistry. III. The role of exact exchange;Becke;J. Chem. Phys.,1993

2. Laboratory rotational spectrum of l-C3H+ and confirmation of its astronomical detection;Brünken;ApJ,2014

3. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen;Dunning;J. Chem. Phys.,1989

4. High-accuracy quartic force field calculations for the spectroscopic constants and vibrational frequencies of 1 1A′ l-C3H−: a possible link to lines observed in the horsehead nebula photodissociation region;Fortenberry;ApJ,2013

5. Granovsky, A.A., 2006. PC GAMESS version 7.0, Available from: .

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