scholarly journals Reaction coordinates for elucidating reaction dynamics with anharmonic couplings

2014 ◽  
Vol 115 (5) ◽  
pp. 247-252
Author(s):  
Shinnosuke Kawai
Keyword(s):  
Reaction Dynamics ◽  
Reaction Coordinates ◽  
Anharmonic Couplings

Reaction Dynamics — Recent Advances

1991 ◽  
Vol 174 (Part_2) ◽  
pp. 225-225
Author(s):  
Wolfgang Schirmer
Keyword(s):  
Reaction Dynamics ◽  
Recent Advances

Rare event simulation

2017 ◽  
Author(s):  
Michael P. Allen ◽  
Dominic J. Tildesley
Keyword(s):  
Rare Event ◽  
Path Sampling ◽  
Rapid Progress ◽  
Computationally Efficient ◽  
Transition Path ◽  
Transition Path Sampling ◽  
Event Simulation ◽  
Reaction Coordinates ◽  
Simulation Techniques ◽  
Transition Interface

The development of techniques to simulate infrequent events has been an area of rapid progress in recent years. In this chapter, we shall discuss some of the simulation techniques developed to study the dynamics of rare events. A basic summary of the statistical mechanics of barrier crossing is followed by a discussion of approaches based on the identification of reaction coordinates, and those which seek to avoid prior assumptions about the transition path. The demanding technique of transition path sampling is introduced and forward flux sampling and transition interface sampling are considered as rigorous but computationally efficient approaches.

Femtosecond reaction dynamics of Rydberg states. Methyl iodide

1993 ◽  
Vol 214 (3-4) ◽  
pp. 281-289 ◽  
Author(s):  
M.H.M. Janssen ◽  
M. Dantus ◽  
H. Guo ◽  
A.H. Zewail
Keyword(s):  
Methyl Iodide ◽  
Rydberg States ◽  
Reaction Dynamics

Quantum calculations of the photoelectron spectra of the OH−·NH3 anion: implications for OH + NH3 → H2O + NH2 reaction dynamics

2021 ◽  
Vol 23 (11) ◽  
pp. 6950-6958
Author(s):  
Kohei Saito ◽  
Yutaro Sugiura ◽  
Takaaki Miyazaki ◽  
Yukinobu Takahashi ◽  
Toshiyuki Takayanagi
Keyword(s):  
Quantum Dynamics ◽  
Photoelectron Spectrum ◽  
Reaction Dynamics ◽  
Photoelectron Spectra ◽  
Quantum Calculations ◽  
Anion Complex

Quantum dynamics calculations were performed to analyze the experimentally measured photoelectron spectrum of the OH−·NH3 anion complex.

scholarly journals 7Be and 8B reaction dynamics at Coulomb barrier energies

2018 ◽  
Vol 184 ◽  
pp. 02015
Author(s):  
E. Strano ◽  
M. Mazzocco ◽  
A. Boiano ◽  
C. Boiano ◽  
M. La Commara ◽  
...  
Keyword(s):  
Cross Sections ◽  
Coulomb Barrier ◽  
Reaction Cross Section ◽  
Optical Model ◽  
Reaction Dynamics ◽  
Reaction Cross ◽  
Total Reaction Cross Section ◽  
Weakly Bound ◽  
Total Reaction ◽  
Reaction Cross Sections

We investigated the reaction dynamics induced by the 7Be,8B+208Pb collisions at energies around the Coulomb barrier. Charged particles originated by both the col- lisions were detected by means of 6 ΔE-Eres telescopes of a newly developed detector array. Experimental data were analysed within the framework of the Optical Model and the total reaction cross-sections were compared together and with the 6,7Li+208Pb colli-sion data. According to the preliminary results, 7Be nucleus reactivity is rather similar to the 7Li one whereas the 8B+208Pb total reaction cross section appears to be much larger than those measured for reactions induced by the other weakly-bound projectiles on the same target.

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