Erratum: “Semiclassical calculation of collisional dissociation cross sections for N+N2” [J. Chem. Phys. 117, 6556 (2002)]

2003 ◽  
Vol 119 (19) ◽  
pp. 10452-10453 ◽  
Author(s):  
Catherine Tully ◽  
Robert E. Johnson
Keyword(s):  
Cross Sections ◽  
Chem Phys

A quasi-classical trajectory (QCT) study of the H + OF reaction stereodynamics

2010 ◽  
Vol 88 (9) ◽  
pp. 893-897 ◽  
Author(s):  
Dan Zhao ◽  
Tian Yu Zhang ◽  
Tian Shu Chu
Keyword(s):  
Cross Sections ◽  
Relative Velocity ◽  
Collision Energy ◽  
Potential Surface ◽  
Excited Electronic State ◽  
Three Dimensional ◽  
Chem Phys ◽  
Classical Trajectory ◽  
Angular Distributions ◽  
Angular Momenta

Based on the global three-dimensional adiabatic potential surface of the 13A′ excited electronic state (J. Chem. Phys. 2005, 123, 114310) of the OHF system, we investigated the H + OF → OH + F/HF + O reaction stereodynamics by using the quasi-classical trajectory (QCT) method. The four polarization-dependent differential cross sections (PDDCSs) and the three angular distributions P(θr), P([Formula: see text]), P(θr, [Formula: see text]) were calculated at a low collision energy of 0.48 eV for both product channels. The results indicated that the products are backward-scattering on the triplet state, and the product rotational angular momenta are aligned or oriented. Moreover, there is a remarkable difference between the polarization behaviors of the two product channels. Product orientation exhibited by the OH + F channel is found to be absent in the HF + O channel at this collision energy albeit the latter shows stronger alignment along the direction perpendicular to the reagent relative velocity k than OH + F.

Improved global distributions of SF6 and mean age of stratospheric air by use of new spectroscopic data

2020 ◽  
Author(s):  
Gabriele P. Stiller ◽  
Jeremy J. Harrison ◽  
Florian J. Haenel ◽  
Norbert Glatthor ◽  
Sylvia Kellmann ◽  
...  
Keyword(s):  
Cross Sections ◽  
Spectroscopic Data ◽  
Chem Phys ◽  
Spectral Signature ◽  
Data Set ◽  
Sensing Applications ◽  
High Bias ◽  
In Situ Observations ◽  
Global Data

<p>The first and only global data set of mean age of stratospheric air (AoA) with dense day and night coverage has been derived from MIPAS observations by analysis of the spectral signature of SF<sub>6</sub> (Stiller et al., 2008, 2012; Haenel et al., 2015). Since SF<sub>6</sub> is a tracer with no sinks in the troposphere and stratosphere and an almost linearly increasing atmospheric abundance, it is often used to derive information on stratospheric transport and mixing due to the Brewer Dobson Circulation, quantified usually as mean age of stratospheric air (AoA). The global data sets of AoA derived so far from MIPAS observations, on basis of spectroscopically measured absorption cross sections by Varanasi et al. (1994), had a high bias in the middle to upper stratosphere compared to balloon-borne in situ observations from the 1990s. By applying a new spectroscopic data set measured in the laboratory recently (J.J. Harrison, to be published), we show that part of the high bias in AoA can be removed, and the residuals between measured and modelled atmospheric spectra can be decreased significantly. In this presentation we discuss the new SF<sub>6</sub> and AoA distributions, variablilities and trends, and compare to previous versions and independent in situ observations. </p><p><strong>References:</strong></p><p>Haenel, F. J., Stiller, G. P., von Clarmann, T., Funke, B., Eckert, E., Glatthor, N., Grabowski, U., Kellmann, S., Kiefer, M., Linden, A., and Reddmann, T.: Reassessment of MIPAS age of air trends and variability, Atmos. Chem. Phys., 15, 13161-13176, https://doi.org/10.5194/acp-15-13161-2015, 2015.<br>Stiller, G. P., von Clarmann, T., Höpfner, M., Glatthor, N., Grabowski, U., Kellmann, S., Kleinert, A., Linden, A., Milz, M., Reddmann, T., Steck, T., Fischer, H., Funke, B., López-Puertas, M., and Engel, A.: Global distribution of mean age of stratospheric air from MIPAS SF6 measurements, Atmos. Chem. Phys., 8, 677-695, https://doi.org/10.5194/acp-8-677-2008, 2008.<br>Stiller, G. P., von Clarmann, T., Haenel, F., Funke, B., Glatthor, N., Grabowski, U., Kellmann, S., Kiefer, M., Linden, A., Lossow, S., and López-Puertas, M.: Observed temporal evolution of global mean age of stratospheric air for the 2002 to 2010 period, Atmos. Chem. Phys., 12, 3311-3331, https://doi.org/10.5194/acp-12-3311-2012, 2012.<br>Varanasi, P., Li, Z., Nemtchinov, V., and Cherukuri, A.: Spectral Absorption–Coefficient Data on HCFC-22 and SF6 for Remote– Sensing Applications, J. Quant. Spectrosc. Radiat. Transfer, 52, 323–332, 1994.<strong><br></strong></p><p> </p>

Erratum: On the quantum cross sections in dilute gases [J. Chem. Phys. 100, 3813 (1994)]

1995 ◽  
Vol 103 (3) ◽  
pp. 1239-1239 ◽  
Author(s):  
F. R. Meeks ◽  
T. J. Cleland ◽  
K. E. Hutchinson ◽  
W. L. Taylor
Keyword(s):  
Cross Sections ◽  
Chem Phys ◽  
Dilute Gases

Stereodynamics of the reaction He+H2+ → HeH+ + H: a theoretical study

Open Physics ◽  
2011 ◽  
Vol 9 (5) ◽  
Author(s):  
Tianyun Chen ◽  
Ningjiu Zhao ◽  
Weiping Zhang ◽  
Xinqiang Wang
Keyword(s):  
Quantum Number ◽  
Cross Sections ◽  
Collision Energy ◽  
Energy Surface ◽  
Theoretical Study ◽  
Chem Phys ◽  
Vibrational Quantum Number ◽  
Title Reaction ◽  
Highly Sensitive ◽  
Trajectory Method

AbstractQuasiclassical trajectory method for the title reaction He +H2+ → HeH+ + H was carried out on the potential energy surface which was revised by Aquilanti et al. [Chem. Phys. Lett. 469, 26 (2009)]. The initial vibrational quantum number of reactant was set as v=1, v=2 and v=3. Stereodynamics information of the reaction was obtained, such as the distributions of product angular momentum P(θ r), P(ϕ r),p(ϕ r, θ r) and the two commonly used polarization-dependent differential cross sections (PDDCSs) (2π/σ)(dσ 00/dω t) and (2π/σ)(dσ 20/dω t), to get the alignment and orientation of product molecules. The results show that the influence of both the collision energy and vibrational quantum number (v) to the reaction are highly sensitive.

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