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Table of contents

Hydrogen Bond Dynamics in Aqueous Solutions: Ab initio Molecular Dynamics Studies

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Experimental Methods

Hydrogen bond dynamics is believed to be the key factor in changing 

Hydrogen bond dynamics in aqueous alkali halide solutions

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Rate equation for the decay of CHB(t)

Definition of Hydrogen Bonds

Results of Molecular Dynamics

Dynamics of anion-water and water-water hydrogen bonds

Structural relaxation of anion-water & water-water H-bonds

Ab initio Molecular Dynamics :

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Dynamics of hydrogen bonds : CPMD results

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Conclusions :


Author: Academy office