The reaction fragility spectrum-Reference-Cited by-同舟云学术

The reaction fragility spectrum

Published:2016 Issue:48 Volume:18 Page:32658-32663
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Komorowski Ludwik¹²³⁴,Ordon Piotr⁵⁶⁷⁴,Jędrzejewski Mateusz¹²³⁴

Affiliation:

1. Department of Physical and Quantum Chemistry

2. Wrocław University of Science and Technology

3. 50-370 Wrocław

4. Poland

5. Department of Physics and Biophysics

6. Wrocław University of Environmental and Life Sciences

7. 50-375 Wrocław

Abstract

We report an original method that provides a new insight into the reaction mechanism by direct observation of bond breaking and formation. Example: HONS → ONSH.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP06519H

Reference27 articles.

1. Chemical Kinetics and Mechanisms of Complex Systems: A Perspective on Recent Theoretical Advances

2. Common Features of Extraordinary Rate Theories

3. The reaction force. A scalar property to characterize reaction mechanisms

4. Reaction force constant and projected force constants of vibrational modes along the path of an intramolecular proton transfer reaction

5. A. Toro-Labbé , S.Gutiérrez-Oliva, P.Politzer and J. S.Murray, in Chemical Reactivity Theory. A density functional Viewpoint, ed. P. K. Chattaraj, CRC Press, Taylor & Francis Group, Boca Raton, U.S.A., 2009

Cited by 11 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Reaction fragility method: monitoring evolution of atoms and bonds on a reaction path;Chemical Reactivity;2023

2. ETS-NOCV and molecular electrostatic potential-based picture of chemical bonding;Polish Quantum Chemistry from Kołos to Now;2023

3. From the Electron Density Gradient to the Quantitative Reactivity Indicators: Local Softness and the Fukui Function;ACS Omega;2022-02-25

4. Intramolecular proton transfer in the isomerization of hydroxyacetone: Characterization based on reaction force analysis and the bond fragility spectrum;International Journal of Quantum Chemistry;2020-06-13

5. The Connectivity Matrix: A Toolbox for Monitoring Bonded Atoms and Bonds;The Journal of Physical Chemistry A;2020-01-21