Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Search research articles

Related Experiment Videos

A wave packet based statistical approach to complex-forming reactions.

Shi Ying Lin¹, Hua Guo

¹Department of Chemistry, University of New Mexico, Albuquerque, NM 87131, USA.

The Journal of Chemical Physics

|July 23, 2004

Summary

A new statistical model using wave packets efficiently predicts reaction cross sections for complex-forming reactions. It accurately models reactions with long-lived resonances, like the C((1)D)+H(2) reaction.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Exosomes-Derived MiR-302b Suppresses Lung Cancer Cell Proliferation and Migration via TGFβRII Inhibition.

Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology·2016

Same author

Thickness-Dependent and Magnetic-Field-Driven Suppression of Antiferromagnetic Order in Thin V5S8 Single Crystals.

ACS nano·2016

Same author

Communication: Mode specific quantum dynamics of the F + CHD3 → HF + CD3 reaction.

The Journal of chemical physics·2016

Same author

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2.

The Journal of chemical physics·2016

Same author

Rate Coefficients of the HCl + OH → Cl + H2O Reaction from Ring Polymer Molecular Dynamics.

The journal of physical chemistry. A·2016

Same author

Comparison of multislice breath-hold and 3D respiratory triggered T1 ρ imaging of liver in healthy volunteers and liver cirrhosis patients in 3.0 T MRI.

Journal of magnetic resonance imaging : JMRI·2016

Area of Science:

Chemical Physics
Reaction Dynamics
Computational Chemistry

Background:

Complex-forming reactions involve intermediate long-lived complexes.
Statistical models are crucial for understanding reaction dynamics.
Accurate computation of reaction cross sections is essential.

Purpose of the Study:

To propose a novel wave packet based statistical model for complex-forming reactions.
To compute reaction cross sections and their energy dependence.
To assess the model's efficiency and accuracy for resonance-dominated reactions.

Main Methods:

Developed a statistical model based on wave packet propagation.
Assumed statistical formation and decay of long-lived reaction complexes.

Related Experiment Videos

Calculated reaction cross sections using capture probabilities.

Main Results:

The model demonstrates high efficiency and reasonable accuracy.
Successfully applied to the C((1)D)+H(2) reaction.
Energy dependence of reaction cross sections was computed.

Conclusions:

The wave packet based statistical model is suitable for complex-forming reactions.
The model is particularly effective for reactions dominated by long-lived resonances.
This approach offers a computationally efficient method for studying reaction dynamics.