Product angular and rovibrational state distributions of the Li + HF(v=0, j=0) → LiF(v', j') + H reaction

2016 ◽  
Vol 7 (2) ◽  
pp. 51-63 ◽  
Author(s):  
X.-F. Yue and M.-C. Jiao
Keyword(s):  
Rovibrational State

Exploring surface landscapes with molecules: rotationally induced diffraction of H2 on LiF(001) under fast grazing incidence conditions

2017 ◽  
Vol 19 (25) ◽  
pp. 16317-16322 ◽  
Author(s):  
M. del Cueto ◽  
A. S. Muzas ◽  
M. F. Somers ◽  
G. J. Kroes ◽  
C. Díaz ◽  
...  
Keyword(s):  
Grazing Incidence ◽  
Quantum Mechanical ◽  
Mechanical Study ◽  
Quantum Mechanical Study ◽  
Rovibrational State

6D quantum mechanical study of H2 diffraction from LiF(001) as a function of the initial rovibrational state and incidence direction.

A quantum-rovibrational-state-selected study of the proton-transfer reaction H2+(X2Σ+g: v+ = 1–3; N+ = 0–3) + Ne → NeH+ + H using the pulsed field ionization-photoion method: observation of the rotational effect near the reaction threshold

2017 ◽  
Vol 19 (28) ◽  
pp. 18619-18627 ◽  
Author(s):  
Bo Xiong ◽  
Yih-Chung Chang ◽  
Cheuk-Yiu Ng
Keyword(s):  
Energy Range ◽  
Cross Sections ◽  
Collision Energy ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Quantum Dynamic ◽  
Field Ionization ◽  
Reaction Threshold ◽  
Pulsed Field Ionization ◽  
Rovibrational State

The integral cross sections for the H2+(v+ = 1–3; N+ = 0–3) + Ne → NeH+ + H reaction have been measured in the collision energy range of 0.05–2.00 eV for comparison of recent quantum dynamic predictions.

Rovibrational state specific scattering distributions of the O(1D) + CD4→ OD + CD3 (v1, v2, N) reaction

2011 ◽  
Vol 13 (18) ◽  
pp. 8371 ◽  
Author(s):  
Hiroshi Kohguchi ◽  
Yoshihiro Ogi ◽  
Toshinori Suzuki
Keyword(s):  
Rovibrational State

A QUASSICLASSICAL TRAJECTORY STUDY OF THE REACTANT STATE RESOLVED STEREODYNAMICS OF THE REACTION C + OH(v,j) → CO + H

2012 ◽  
Vol 11 (04) ◽  
pp. 811-819 ◽  
Author(s):  
QIANG WEI
Keyword(s):  
Angular Momentum ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Vibrational State ◽  
Energy Surface ◽  
Rotational State ◽  
Title Reaction ◽  
Rovibrational State ◽  
Rotational Angular Momentum

Quassiclassical trajectory (QCT) calculations have been performed for the radical–radial reaction C + OH (v,j) → CO + H on the ab initio potential energy surface of [Zanchet et al., J. Phys. Chem. A110: 12017, 2006] in order to study the stereodyanmics of the title reaction. The product rotational angular momentum (j′) polarization in the (k,k′) scattering frame has been determined for selected rovibrational state of OH at the collision energies from 0.05 eV to 1.0 eV. The j′ distribution of product CO is found to display both alignment and orientation. Furthermore, the j′ in the k – k′ scattering frame were found to be very sensitive to the reactant OH rotational state, but not sensitive to the reactant OH vibrational state.

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