scholarly journals Infrared spectrum and intermolecular potential energy surface of the CO–O2 dimer

2018 ◽  
Vol 20 (21) ◽  
pp. 14431-14440 ◽  
Author(s):  
A. J. Barclay ◽  
A. R. W. McKellar ◽  
N. Moazzen-Ahmadi ◽  
Richard Dawes ◽  
Xiao-Gang Wang ◽  
...  
Keyword(s):  
Infrared Spectrum ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Intermolecular Potential ◽  
Weakly Bound ◽  
Radical Complex ◽  
First Time

The spectrum of the weakly-bound radical complex CO–O2 is studied for the first time.

Theoretical study of the Cl(2P) + SiH4 reaction: Global potential energy surface and product pair-correlated distributions. Comparison with experiment.

2021 ◽  
Author(s):  
J. Espinosa-Garcia ◽  
Jose Carlos Corchado
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Theoretical Study ◽  
Title Reaction ◽  
Comparison With Experiment ◽  
Explicitly Correlated ◽  
High Level ◽  
First Time ◽  
Product Pair

For the theoretical study of the title reaction, an analytical full-dimensional potential energy surface named PES-2021 was developed for the first time, by fitting high-level explicitly-correlated ab initio data. This...

Thep-Difluorobenzene−Argon S1Excited State Intermolecular Potential Energy Surface

2006 ◽  
Vol 110 (49) ◽  
pp. 13259-13263 ◽  
Author(s):  
José Luis Cagide Fajín ◽  
Berta Fernández ◽  
Peter M. Felker
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Intermolecular Potential
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