Methane dissociation on stepped Ni surfaces resolved by impact site, collision energy, vibrational state, and lattice distortion

2019 ◽  
Vol 150 (20) ◽  
pp. 204703 ◽  
Author(s):  
Han Guo ◽  
Bret Jackson
2020 ◽  
Vol 22 (14) ◽  
pp. 7268-7282
Author(s):  
Michael L. Hause ◽  
Sierra Solter ◽  
Benjamin D. Prince ◽  
Raymond J. Bemish

Vibrational state collision energy dependence of Xe/O collision systems.


2018 ◽  
Vol 148 (1) ◽  
pp. 014701 ◽  
Author(s):  
Helen Chadwick ◽  
Han Guo ◽  
Ana Gutiérrez-González ◽  
Jan Paul Menzel ◽  
Bret Jackson ◽  
...  

2013 ◽  
Vol 781-784 ◽  
pp. 14-18
Author(s):  
Xian Fang Yue ◽  
Victor Wei Keh Wu ◽  
Jie Cheng

A first quasiclassical trajectory calculation for the reaction H + OCl OH + Cl, HCl + O has been carried out on the ground 11A' potential energy surface (PES) at the collision energy of 7.6 kcal/mol. The stereodynamics and product state distributions were focused on computation and analysis. It was found that, for both the OH and HCl products, the product rotational alignment and orientation were very weak. Most of the OH products are at lower vibrational levels. The HCl products dominantly populate in the ground vibrational state v'=0. Inverted rotational state distributions were found in each of the vibrational state for both the OH and HCl products. As a consequence, the title reaction takes place dominantly through an indirect mechanism involving a long-lived complex.


2017 ◽  
Vol 19 (13) ◽  
pp. 8694-8705 ◽  
Author(s):  
Yuntao Xu ◽  
Bo Xiong ◽  
Yih Chung Chang ◽  
C. Y. Ng

The quantum-rotational- and vibrational-state effects on the chemical reactivity of H2O+ ion toward HD have been examined in detail in a wide kinetic energy range of 0.03–10.00 eV.


2016 ◽  
Vol 144 (10) ◽  
pp. 101101 ◽  
Author(s):  
Xiangjian Shen ◽  
Zhaojun Zhang ◽  
Dong H. Zhang

Author(s):  
M.F. Schmid ◽  
R. Dargahi ◽  
M. W. Tam

Electron crystallography is an emerging field for structure determination as evidenced by a number of membrane proteins that have been solved to near-atomic resolution. Advances in specimen preparation and in data acquisition with a 400kV microscope by computer controlled spot scanning mean that our ability to record electron image data will outstrip our capacity to analyze it. The computed fourier transform of these images must be processed in order to provide a direct measurement of amplitudes and phases needed for 3-D reconstruction.In anticipation of this processing bottleneck, we have written a program that incorporates a menu-and mouse-driven procedure for auto-indexing and refining the reciprocal lattice parameters in the computed transform from an image of a crystal. It is linked to subsequent steps of image processing by a system of data bases and spawned child processes; data transfer between different program modules no longer requires manual data entry. The progress of the reciprocal lattice refinement is monitored visually and quantitatively. If desired, the processing is carried through the lattice distortion correction (unbending) steps automatically.


1999 ◽  
Author(s):  
Wonchul Lee ◽  
Matthew Chidley ◽  
Robert Leiweke ◽  
Walter Lempert ◽  
Igor Adamovich
Keyword(s):  

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