Understanding rotational mode specificity in the O(3P)+CHD3→ OH+CD3 reaction by simple reactant alignment pictures

2019 ◽  
Vol 32 (1) ◽  
pp. 46-52 ◽  
Author(s):  
Rui Liu ◽  
Hong-wei Song ◽  
Ming-hui Yang
Keyword(s):  
Rotational Mode ◽  
Mode Specificity

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...

Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reaction

2014 ◽  
Vol 141 (7) ◽  
pp. 074310 ◽  
Author(s):  
Rui Liu ◽  
Fengyan Wang ◽  
Bin Jiang ◽  
Gábor Czakó ◽  
Minghui Yang ◽  
...  
Keyword(s):  
Rotational Mode ◽  
Mode Specificity

Theoretical studies of mode specificity in the dissociation of overtone-excited hydrogen peroxide

1988 ◽  
Vol 152 (4-5) ◽  
pp. 405-408 ◽  
Author(s):  
T. Uzer ◽  
Brian D. Macdonald ◽  
Yuhua Guan ◽  
D.L. Thompson
Keyword(s):  
Hydrogen Peroxide ◽  
Theoretical Studies ◽  
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...

VIBRATIONAL SPECTROSCOPY OF CO/Cu(211) WITH A CO TERMINATED TIP

1999 ◽  
Vol 13 (20) ◽  
pp. 709-715 ◽  
Author(s):  
FRANCESCA MORESCO ◽  
GERHARD MEYER ◽  
KARL HEINZ RIEDER
Keyword(s):  
Vibrational Spectroscopy ◽  
Scanning Tunneling Microscope ◽  
Scanning Tunneling ◽  
Rotational Mode ◽  
Tunneling Microscope ◽  
Vibrational Excitations ◽  
Translational Mode ◽  
Inelastic Tunneling ◽  
Open Question ◽  
First Time

Vibrational excitations of an isolated CO molecule adsorbed on a Cu(211) surface have been, for the first time, observed with a CO terminated scanning tunneling microscope tip. Both the frustrated translational and rotational modes were observed, and in agreement with the case of a metallic tip. The presence of a CO molecule on the tip, transferred by controlled vertical manipulation, strongly influences the frustrated translational mode of the CO molecule, while it does not affect the frustrated rotational mode. The present work demonstrates that scanning tunneling vibrational spectroscopy is also possible with a molecule at the end of the tip, opening new interesting fields of research and putting some more light on the still open question of inelastic tunneling and its selection rules.

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