Temperature dependence of the ultrafast vibrational echo spectroscopy of OD modes in liquid water from first principles simulations

Deepak Ojha; Amalendu Chandra

doi:10.1039/c8cp07121g

Temperature dependence of the ultrafast vibrational echo spectroscopy of OD modes in liquid water from first principles simulations

Physical Chemistry Chemical Physics ◽

10.1039/c8cp07121g ◽

2019 ◽

Vol 21 (12) ◽

pp. 6485-6498 ◽

Cited By ~ 7

Author(s):

Deepak Ojha ◽

Amalendu Chandra

Keyword(s):

Molecular Dynamics ◽

Temperature Dependence ◽

Liquid Water ◽

First Principles ◽

Spectral Diffusion ◽

Vibrational Echo ◽

First Principles Molecular Dynamics

The temperature dependence of the vibrational spectral diffusion of OD modes in liquid water is investigated through calculations of vibrational echo spectral observables from first principles molecular dynamics.

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Author(s):

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Aqueous Solution ◽

Hydrogen Bond ◽

First Principles ◽

Spectral Diffusion ◽

Hydrogen Bond Dynamics ◽

First Principles Molecular Dynamics

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Molecular Dynamics Simulation ◽

Temperature Dependence ◽

Electronic Properties ◽

First Principles ◽

Dynamics Simulation ◽

First Principles Molecular Dynamics

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Molecular Dynamics ◽

Hydrogen Bond ◽

First Principles ◽

Spectral Diffusion ◽

Hydrogen Bond Dynamics ◽

First Principles Molecular Dynamics

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Molecular Dynamics ◽

Liquid Water ◽

First Principles ◽

Van Der Waals ◽

Van Der Waals Interactions ◽

First Principles Molecular Dynamics

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Molecular Dynamics ◽

Temperature Dependence ◽

First Principles ◽

Proton Diffusion ◽

First Principles Molecular Dynamics

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First Principles ◽

Spectral Diffusion ◽

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First Principles Molecular Dynamics

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Temperature Dependence ◽

Molecular Dynamics Simulations ◽

First Principles ◽

Optical Response ◽

Bulk Gaas ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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Liquid Water ◽

First Principles ◽

Metal Organic Frameworks ◽

Early Stages ◽

Metal Organic ◽

First Principles Molecular Dynamics

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Liquid Water ◽

First Principles ◽

First Principles Molecular Dynamics

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Keyword(s):

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Molecular Dynamics Simulations ◽

Liquid Water ◽

First Principles ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics

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