Theoretical study of the unimolecular dissociation HO2→H+O2. I. Calculation of the bound states of HO2up to the dissociation threshold and their statistical analysis

1995 ◽  
Vol 103 (23) ◽  
pp. 9947-9962 ◽  
Author(s):  
Abigail J. Dobbyn ◽  
Michael Stumpf ◽  
Hans‐Martin Keller ◽  
Reinhard Schinke
2020 ◽  
Vol 22 (28) ◽  
pp. 15885-15899 ◽  
Author(s):  
Viatcheslav Kokoouline ◽  
David Lapierre ◽  
Alexander Alijah ◽  
Vladimir Tyuterev

Knowledge of highly excited rovibrational states of ozone isotopologues is of key importance for modelling the dynamics of exchange reactions, for understanding longstanding problems related to isotopic anomalies of the ozone formation, and for analyses of extra-sensitive laser spectral experiments currently in progress.


2000 ◽  
Vol 104 (45) ◽  
pp. 10374-10382 ◽  
Author(s):  
Antoine Delon ◽  
Florian Reiche ◽  
Bernd Abel ◽  
Sergy Yu. Grebenshchikov ◽  
Reinhard Schinke

2002 ◽  
Vol 106 (11) ◽  
pp. 2489-2496 ◽  
Author(s):  
S. Hosein Mousavipour ◽  
Lila Emad ◽  
Sara Fakhraee

2009 ◽  
Vol 279 (1) ◽  
pp. 25-31 ◽  
Author(s):  
Joong Chul Choe ◽  
Nu Ri Cheong ◽  
Seung Min Park

2000 ◽  
Vol 78 (11) ◽  
pp. 977-988 ◽  
Author(s):  
M Korek ◽  
A R Allouche ◽  
K Fakhreddine ◽  
A Chaalan

The potential energy has been calculated over a wide range of internuclear distance for 28 lowest molecular states of LiCs, 32 lowest states of NaCs, and 30 lowest states of KCs molecules. This calculation is done by using an ab initio method based on nonempirical pseudopotentials, parameterized l-dependent polarization potentials, and full valence configuration interaction calculations. Extensive tables of energy values versus internuclear distance are displayed at the following address http://hplasim2.univ-lyon1.fr/allouche. Molecular spectroscopic constants have been derived for the bound states with regular shape. PACS Nos.: 31.15Ar, 31.25-u


1994 ◽  
Vol 98 (4) ◽  
pp. 1073-1079 ◽  
Author(s):  
Thomas Schmelz ◽  
Pavel Rosmus ◽  
Millard H. Alexander

2015 ◽  
Vol 119 (25) ◽  
pp. 6594-6601 ◽  
Author(s):  
Awad B. S. Alquaity ◽  
Binod Raj Giri ◽  
John M. H. Lo ◽  
Aamir Farooq

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