scholarly journals Molecular structure determination: Equilibrium structure of pyrimidine (m-C4H4N2) from rotational spectroscopy (reSE) and high-level ab initio calculation (re) agree within the uncertainty of experimental measurement

2020 ◽  
Vol 152 (10) ◽  
pp. 104303 ◽  
Author(s):  
Zachary N. Heim ◽  
Brent K. Amberger ◽  
Brian J. Esselman ◽  
John F. Stanton ◽  
R. Claude Woods ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Ab Initio ◽  
Structure Determination ◽  
Experimental Measurement ◽  
Ab Initio Calculation ◽  
Equilibrium Structure ◽  
Rotational Spectroscopy ◽  
High Level

Challenging High-Level ab initio Rovibrational Spectroscopy: The Nitrous Oxide Molecule

2015 ◽  
Vol 229 (10-12) ◽  
Author(s):  
Benjamin Schröder ◽  
Peter Sebald ◽  
Christopher Stein ◽  
Oskar Weser ◽  
Peter Botschwina
Keyword(s):  
Nitrous Oxide ◽  
Ab Initio ◽  
Equilibrium Structure ◽  
Oxide Molecule ◽  
High Level ◽  
Rovibrational Energies ◽  
Rovibrational Spectroscopy

AbstractThe equilibrium structure and rovibrational energies of nitrous oxide (N

A complete molecular structure determination of pentaborane(9) by rotational spectroscopy

1977 ◽  
Vol 16 (12) ◽  
pp. 3219-3222 ◽  
Author(s):  
Dietrich. Schwoch ◽  
Anton B. Burg ◽  
Robert A. Beaudet
Keyword(s):  
Molecular Structure ◽  
Structure Determination ◽  
Rotational Spectroscopy
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