Ab initio prediction of the vibrational-rotational energy levels of hydrogen peroxide and its isotopomers

2001 ◽  
Vol 115 (18) ◽  
pp. 8345-8350 ◽  
Author(s):  
Jacek Koput ◽  
Stuart Carter ◽  
Nicholas C. Handy
Keyword(s):  
Hydrogen Peroxide ◽  
Ab Initio ◽  
Energy Levels ◽  
Rotational Energy ◽  
Ab Initio Prediction

The ab initio potential energy surface and vibrational-rotational energy levels of X 2Σ+ MgOH

2002 ◽  
Vol 117 (4) ◽  
pp. 1529-1535 ◽  
Author(s):  
Jacek Koput ◽  
Stuart Carter ◽  
Kirk A. Peterson ◽  
Giannoula Theodorakopoulos
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Energy Levels ◽  
Rotational Energy
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