Bond Softening Indices Studied by the Fragility Spectra for Proton Migration in Formamide and Related Structures

2019 ◽  
Vol 124 (2) ◽  
pp. 328-338 ◽  
Author(s):  
Piotr Ordon ◽  
Jarosław Zaklika ◽  
Mateusz Jędrzejewski ◽  
Ludwik Komorowski
Keyword(s):  
Proton Migration ◽  
Bond Softening

Dielectric studies of proton migration and relaxation in wet cellulose and its derivatives

Polymer ◽  
1981 ◽  
Vol 22 (8) ◽  
pp. 1048-1053 ◽  
Author(s):  
Derek J. Crofton ◽  
Richard A. Pethrick
Keyword(s):  
Dielectric Studies ◽  
Proton Migration

Ketone hydrogenation catalyzed by a new iron(ii)–PNN complex

2016 ◽  
Vol 6 (12) ◽  
pp. 4428-4437 ◽  
Author(s):  
B. Butschke ◽  
M. Feller ◽  
Y. Diskin-Posner ◽  
D. Milstein
Keyword(s):  
Hydride Complex ◽  
Mild Conditions ◽  
Ketone Hydrogenation ◽  
Proton Migration

A dearomatized Fe(ii)–hydride complex mediates the hydrogenation of enolizable ketones under very mild conditions. Deactivation occursviaintramolecular proton migration.

scholarly journals Enhanced interfacial proton migration on BaZr(Y)O3 by molten carbonate: A first principles study

2016 ◽  
Vol 289 ◽  
pp. 48-54 ◽  
Author(s):  
Xueling Lei ◽  
Kevin Huang ◽  
Changyong Qin
Keyword(s):  
First Principles ◽  
Molten Carbonate ◽  
First Principles Study ◽  
Proton Migration

Feshbach Resonances in the Vibrationally Excited F + HOD(vOH/vOD = 1) Reaction Due to Chemical Bond Softening

2021 ◽  
pp. 6090-6094
Author(s):  
Shu Liu ◽  
Xiaoren Zhang ◽  
Jun Chen ◽  
Dong H. Zhang
Keyword(s):  
Chemical Bond ◽  
Feshbach Resonances ◽  
Vibrationally Excited ◽  
Bond Softening

Coupled Dynamics of Electrons and Nuclei in a Molecule Interacting with Ultrashort, Ultra-Intense Laser Pulses

1997 ◽  
Vol 491 ◽  
Author(s):  
S. Khosravi ◽  
R. E. Allen
Keyword(s):  
Harmonic Generation ◽  
Laser Pulses ◽  
Intense Laser ◽  
Electronic Transitions ◽  
Coupled Dynamics ◽  
Electron Population ◽  
Intense Laser Pulses ◽  
Bond Softening ◽  
Population Trapping

ABSTRACTWe have developed a technique for treating the coupled dynamics of electrons and nuclei in a molecule which is subjected to ultrashort and ultra-intense laser pulses. This technique has been employed in quantitatively accurate simulations for . Many interesting phenomena have been observed, including photodissociation, bond softening, above-threshold dissociation, ion-population trapping, electron-population trapping, sudden electronic transitions, Rabi flopping, and harmonic generation. Some representative results are shown here.

Theoretical Model for Interfacial Nonlinear Bond Softening Behavior between Embedded Steel and HSHPC

2007 ◽  
Vol 348-349 ◽  
pp. 845-848
Author(s):  
Shan Suo Zheng ◽  
Lei Li ◽  
Guo Zhuan Deng ◽  
Shun Li Che ◽  
Wei Zhao
Keyword(s):  
Theoretical Model ◽  
High Performance ◽  
High Performance Concrete ◽  
High Strength ◽  
Nonlinear Process ◽  
Experimental Results ◽  
Interfacial Bond ◽  
Bond Slip ◽  
Softening Behavior ◽  
Bond Softening

The latest experimental study on steel reinforced high strength and high performance concrete (SRHSHPC) specimens shows that there exists interfacial bond softening phenomenon between embedded steel and high strength and high performance concrete (HSHPC), and it makes the shear transfer capacity between shaped steel and HSHPC be progressively reduced. To predict failure load in design, a theoretical model for interfacial bond softening behavior is required. As interfacial bond softening behavior is a nonlinear process involving material properties, it can be analyzed once the relation of interfacial bond stress (τ ) and slippage ( s ) is known. In this paper, the mechanism of interfacial bond-slip is studied, thus a simplified τ − s relation including ascending and descending parts is proposed and employed to analyze the interfacial nonlinear bond-slip process. Based on the interfacial equilibrium between steel and HSHPC as well as the τ − s relation, the basic governing equations in both softened region and elastic region are established and solved for steel strain or stress. At last, the application of the model is verified through comparison with experimental results. The calculating results of the model are found to be in good agreement with experimental results, showing that the model can describe the bond-slip process in real material systems.

scholarly journals XUV-induced reactions in benzene on sub-10 fs timescale: nonadiabatic relaxation and proton migration

2017 ◽  
Vol 19 (30) ◽  
pp. 19822-19828 ◽  
Author(s):  
M. C. E. Galbraith ◽  
C. T. L. Smeenk ◽  
G. Reitsma ◽  
A. Marciniak ◽  
V. Despré ◽  
...  
Keyword(s):  
Fragmentation Channel ◽  
Transient Behaviour ◽  
Proton Migration

Short XUV pulses produce excited cationic states of benzene. Their dynamics are probed by few-cycle VIS/NIR pulses. Very fast τ ≈ 20 fs nonadiabatic processes dominate the relaxation. In the CH3+ fragmentation channel a non-trivial transient behaviour is observed.

Catalytic Action of a Single Water Molecule in a Proton-Migration Reaction

2010 ◽  
Vol 122 (29) ◽  
pp. 5018-5021 ◽  
Author(s):  
Yoshiyuki Matsuda ◽  
Ayako Yamada ◽  
Ken-ichi Hanaue ◽  
Naohiko Mikami ◽  
Asuka Fujii
Keyword(s):  
Water Molecule ◽  
Catalytic Action ◽  
Proton Migration ◽  
Single Water Molecule
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