mode specificity
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Vibrational mode-specificity in the dynamics of the Cl + C2H6 → HCl + C2H5 reaction

2021 ◽  
Vol 155 (11) ◽  
pp. 114303
Author(s):  
Dóra Papp ◽  
Jun Li ◽  
Hua Guo ◽  
Gábor Czakó
Keyword(s):  
Vibrational Mode ◽  
Mode Specificity

Effect of Microsolvation on the Mode Specificity of OH • (H 2 O) + HCl Reaction

2021 ◽  
Author(s):  
Subhasish Mallick ◽  
Pradeep Kumar
Keyword(s):  
Dynamics Simulation ◽  
Direct Dynamics ◽  
Mode Specificity

The present study investigates the mode specificity in microsolvated OH • (H 2 O) + HCl re- action using on-the-fly direct dynamics simulation. To the best of our knowledge, this...

Mode specific dynamics in multichannel reaction NH+ + H2

2021 ◽  
Author(s):  
Weiliang Shi ◽  
Kun Wang ◽  
Ping Zhang ◽  
Le Yu ◽  
Anyang Li
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Initial State ◽  
Rotational Mode ◽  
Mode Specificity

The vibrational and rotational mode specificity of the multichannel NH+ + H2 reaction is studied on a recently constructed ab initio based global potential energy surface using an initial state...

scholarly journals Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode

2020 ◽  
Vol 142 (7) ◽  
pp. 3331-3335 ◽  
Author(s):  
Yang Liu ◽  
Hongwei Song ◽  
Daiqian Xie ◽  
Jun Li ◽  
Hua Guo
Keyword(s):  
Mode Specificity

Exercise Mode Specificity for Preserving Spine and Hip Bone Mineral Density in Prostate Cancer Patients

2019 ◽  
Vol 51 (4) ◽  
pp. 607-614 ◽  
Author(s):  
ROBERT U. NEWTON ◽  
DANIEL A. GALVÃO ◽  
NIGEL SPRY ◽  
DAVID JOSEPH ◽  
SUZANNE K. CHAMBERS ◽  
...  
Keyword(s):  
Prostate Cancer ◽  
Bone Mineral Density ◽  
Cancer Patients ◽  
Bone Mineral ◽  
Mineral Density ◽  
Exercise Mode ◽  
Mode Specificity

State-to-state mode specificity in H + DOH(νOH = 1) → HD + OH(ν2 = 0) reaction: vibrational non-adiabaticity or local-mode excitation?

2018 ◽  
Vol 20 (1) ◽  
pp. 191-198 ◽  
Author(s):  
Bin Zhao ◽  
Zhigang Sun ◽  
Hua Guo
Keyword(s):  
Quantum Dynamics ◽  
State Of The Art ◽  
Local Mode ◽  
Interesting Observation ◽  
Mode Excitation ◽  
Mode Specificity

State-of-the-art full dimensional state-to-state quantum dynamics reveal a startling observation in which the DOH(νOH = 1) molecule reacts with a H atom to produce a vibrationless OH product. This interesting observation is attributed to a small OD excited local-mode component in the reactant wavefunction.

Dynamics and kinetics of the reaction OH + H2S → H2O + SH on an accurate potential energy surface

2018 ◽  
Vol 20 (41) ◽  
pp. 26315-26324 ◽  
Author(s):  
Leilei Ping ◽  
Yongfa Zhu ◽  
Anyang Li ◽  
Hongwei Song ◽  
Yong Li ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Kinetics Of ◽  
Mode Specificity

Mode specificity and product energy disposal are unveiled in the reaction OH + H2S → H2O + SH.

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