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
Keyword(s):  
Statistical Analysis ◽  
Bound States ◽  
Theoretical Study ◽  
Unimolecular Dissociation ◽  
Dissociation Threshold

Localized and delocalized bound states of the main isotopologue 48O3 and of 18O-enriched 50O3 isotopomers of the ozone molecule near the dissociation threshold

2020 ◽  
Vol 22 (28) ◽  
pp. 15885-15899 ◽  
Author(s):  
Viatcheslav Kokoouline ◽  
David Lapierre ◽  
Alexander Alijah ◽  
Vladimir Tyuterev
Keyword(s):  
Bound States ◽  
Ozone Formation ◽  
Ozone Molecule ◽  
Exchange Reactions ◽  
Dissociation Threshold ◽  
Rovibrational States ◽  
Isotopic Anomalies

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.

Investigation of Loosely Bound States of NO2Just below the First Dissociation Threshold†

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

Theoretical Study on the Unimolecular Dissociation of CH3SCH3and CH3SCH2

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

Unimolecular dissociation of aniline molecular ion: A theoretical study

2009 ◽  
Vol 279 (1) ◽  
pp. 25-31 ◽  
Author(s):  
Joong Chul Choe ◽  
Nu Ri Cheong ◽  
Seung Min Park
Keyword(s):  
Theoretical Study ◽  
Unimolecular Dissociation ◽  
Molecular Ion

Theoretical study of the electronic structure of LiCs, NaCs, and KCs molecules

2000 ◽  
Vol 78 (11) ◽  
pp. 977-988 ◽  
Author(s):  
M Korek ◽  
A R Allouche ◽  
K Fakhreddine ◽  
A Chaalan
Keyword(s):  
Internuclear Distance ◽  
Bound States ◽  
Theoretical Study ◽  
Spectroscopic Constants ◽  
Ab Initio Method ◽  
Regular Shape ◽  
Wide Range ◽  
Dependent Polarization ◽  
Configuration Interaction Calculations ◽  
Valence Configuration

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

Theoretical Study of Bound States of Ar-NO

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

scholarly journals High-Temperature Experimental and Theoretical Study of the Unimolecular Dissociation of 1,3,5-Trioxane

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