Wave packet dynamics of H2(v1=8–14)+H2(v2=0–2): The role of the potential energy surface on different reactive and dissociative processes

2005 ◽  
Vol 122 (6) ◽  
pp. 064305 ◽  
Author(s):  
Massimiliano Bartolomei ◽  
Marta I. Hernández ◽  
José Campos-Martínez
Keyword(s):  
Potential Energy ◽  
Wave Packet ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Wave Packet Dynamics ◽  
Dissociative Processes

Wave packet dynamics of the N(4S)+O2(X 3Σg−)→NO(X 2Π)+O(3P) reaction on the X 2A′ potential energy surface

2001 ◽  
Vol 115 (7) ◽  
pp. 3208-3214 ◽  
Author(s):  
Paolo Defazio ◽  
Carlo Petrongolo ◽  
Stephen K. Gray ◽  
Carolina Oliva
Keyword(s):  
Potential Energy ◽  
Wave Packet ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Wave Packet Dynamics

Modified potential energy surface and time-dependent wave packet dynamics study for Cl+CH4→HCl+CH3 reaction

2008 ◽  
Vol 354 (1-3) ◽  
pp. 180-185 ◽  
Author(s):  
Mao-you Yang ◽  
Chuan-Lu Yang ◽  
Jian-zhong Chen ◽  
Qing-gang Zhang
Keyword(s):  
Potential Energy ◽  
Wave Packet ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Time Dependent ◽  
Wave Packet Dynamics

scholarly journals Secondary channels in the thermal decomposition of monomethylhydrazine (CH3NHNH2)

RSC Advances ◽  
2014 ◽  
Vol 4 (108) ◽  
pp. 62951-62964 ◽  
Author(s):  
Peng Zhang ◽  
Stephen J. Klippenstein ◽  
Lawrence B. Harding ◽  
Hongyan Sun ◽  
Chung K. Law
Keyword(s):  
Thermal Decomposition ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Molecular Decomposition

The possible role of molecular decomposition channels in MMH is explored through additional investigations on triplet channels, roaming radical channels, and previously unexplored pathways on the potential energy surface.

scholarly journals Ultracold O2 + O2 collisions in a magnetic field: On the role of the potential energy surface

2011 ◽  
Vol 134 (12) ◽  
pp. 124310 ◽  
Author(s):  
Jesús Pérez-Ríos ◽  
José Campos-Martínez ◽  
Marta I. Hernández
Keyword(s):  
Magnetic Field ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface

scholarly journals The Bifurcations of the Critical Points and the Role of Depth in a Symmetric Caldera Potential Energy Surface

2021 ◽  
Vol 31 (11) ◽  
pp. 2130034
Author(s):  
Y. Geng ◽  
M. Katsanikas ◽  
M. Agaoglou ◽  
S. Wiggins
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Critical Points ◽  
Energy Surface ◽  
The Other ◽  
Different Types ◽  
Before And After ◽  
The One ◽  
The Way

In this work, we continue the study of the bifurcations of the critical points in a symmetric Caldera potential energy surface. In particular, we study the influence of the depth of the potential on the trajectory behavior before and after the bifurcation of the critical points. We observe two different types of trajectory behavior: dynamical matching and the nonexistence of dynamical matching. Dynamical matching is a phenomenon that limits the way in which a trajectory can exit the Caldera based solely on how it enters the Caldera. Furthermore, we discuss two different types of symmetric Caldera potential energy surface and the transition from the one type to the other through the bifurcations of the critical points.

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