Kinetic origin of the ozone isotope effect: a critical analysis of enrichments and rate coefficients

2001 ◽  
Vol 3 (21) ◽  
pp. 4718-4721 ◽  
Author(s):  
Christof Janssen ◽  
Jürgen Guenther ◽  
Konrad Mauersberger ◽  
Dieter Krankowsky
Keyword(s):  
Isotope Effect ◽  
Critical Analysis ◽  
Rate Coefficients

Non-equilibrium rate coefficients and isotope effect with bimolecular ion-(polar) molecule reactions in xenon

1986 ◽  
Vol 70 (5) ◽  
pp. 357-364 ◽  
Author(s):  
Wolfgang Stiller ◽  
Reinhard Schuster ◽  
Rainer Schmidt
Keyword(s):  
Isotope Effect ◽  
Polar Molecule ◽  
Rate Coefficients ◽  
Non Equilibrium

scholarly journals Four Isotope-Labeled Recombination Pathways of Ozone Formation

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1289
Author(s):  
Dmitri Babikov ◽  
Elizaveta Grushnikova ◽  
Igor Gayday ◽  
Alexander Teplukhin
Keyword(s):  
Isotope Effect ◽  
Theoretical Approach ◽  
Rate Coefficient ◽  
A Priori ◽  
Metastable States ◽  
Rate Coefficients ◽  
Ozone Formation ◽  
Rare Isotope ◽  
The Individual ◽  
Good Agreement

A theoretical approach is developed for the description of all possible recombination pathways in the ozone forming reaction, without neglecting any process a priori, and without decoupling the individual pathways one from another. These pathways become physically distinct when a rare isotope of oxygen is introduced, such as 18O, which represents a sensitive probe of the ozone forming reaction. Each isotopologue of O3 contains two types of physically distinct entrance channels and two types of physically distinct product wells, creating four recombination pathways. Calculations are done for singly and doubly substituted isotopologues of ozone, eight rate coefficients total. Two pathways for the formation of asymmetric ozone isotopomer exhibit rather different rate coefficients, indicating large isotope effect driven by ΔZPE-difference. Rate coefficient for the formation of symmetric isotopomer of ozone (third pathway) is found to be in between of those two, while the rate of insertion pathway is smaller by two orders of magnitude. These trends are in good agreement with experiments, for both singly and doubly substituted ozone. The total formation rates for asymmetric isotopomers are found to be somewhat larger than those for symmetric isotopomers, but not as much as in the experiment. Overall, the distribution of lifetimes is found to be very similar for the metastable states in symmetric and asymmetric ozone isotopomers.

A New AID for Interpolating and Assessing Collision Strengths and Rate Coefficients

1988 ◽  
Vol 102 ◽  
pp. 107-110
Author(s):  
A. Burgess ◽  
H.E. Mason ◽  
J.A. Tully
Keyword(s):  
Significant Loss ◽  
Impact Excitation ◽  
Rate Coefficients ◽  
Electron Impact Excitation ◽  
Graphical Display ◽  
Practical Procedure ◽  
Positive Ions ◽  
Allowed Transition ◽  
Computational Errors ◽  
Existing Data

AbstractA new way of critically assessing and compacting data for electron impact excitation of positive ions is proposed. This method allows one (i) to detect possible printing and computational errors in the published tables, (ii) to interpolate and extrapolate the existing data as a function of energy or temperature, and (iii) to simplify considerably the storage and transfer of data without significant loss of information. Theoretical or experimental collision strengths Ω(E) are scaled and then plotted as functions of the colliding electron energy, the entire range of which is conveniently mapped onto the interval (0,1). For a given transition the scaled Ω can be accurately represented - usually to within a fraction of a percent - by a 5 point least squares spline. Further details are given in (2). Similar techniques enable thermally averaged collision strengths upsilon (T) to be obtained at arbitrary temperatures in the interval 0 < T < ∞. Application of the method is possible by means of an interactive program with graphical display (2). To illustrate this practical procedure we use the program to treat Ω for the optically allowed transition 2s → 2p in ArXVI.

379: A Critical Analysis of the Interpretation of Biochemical Recurrence in Surgically Treated Patients using the Revised ASTRO Criterion–"NADIR +2"

2007 ◽  
Vol 177 (4S) ◽  
pp. 126-126
Author(s):  
Matthew E. Nielsen ◽  
Danil V. Makarov ◽  
Elizabeth B. Humphreys ◽  
Leslie A. Mangold ◽  
Alan W. Partin ◽  
...  
Keyword(s):  
Biochemical Recurrence ◽  
Critical Analysis

The isotope effect in electronic expectation values: an all-quantum study of C6H6 and C6D6

1998 ◽  
Vol 93 (5) ◽  
pp. 801-807
Author(s):  
JOACHIM SCHULTE ◽  
MICHAEL BOHM ◽  
RAFAEL RAMIREZ
Keyword(s):  
Isotope Effect ◽  
Expectation Values
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