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hydrated excess proton

In this study, extensive Multiscale Reactive Molecular Dynamics simulations with explicit Grotthuss-shuttling hydrated excess protons are used to explore detailed molecular-level interactions that accompany proton transport in the +0, +1, and +2 histidine charge states.

Proton Induced Conformational and Hydration Dynamics in the Influenza A M2 Channel.

hydrated excess proton

The hydrated excess proton is a common species in aqueous chemistry which complexes with water in a variety of structures.

High-Level VSCF/VCI Calculations Decode the Vibrational Spectrum of the Aqueous Proton.

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10.1021/jacs.9b05136

In this study, extensive Multiscale Reactive Molecular Dynamics simulations with explicit Grotthuss-shuttling hydrated excess protons are used to explore detailed molecular-level interactions that accompany proton transport in the +0, +1, and +2 histidine charge states.

Proton Induced Conformational and Hydration Dynamics in the Influenza A M2 Channel.

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10.1021/acs.jpcb.9b05723

The hydrated excess proton is a common species in aqueous chemistry which complexes with water in a variety of structures.

High-Level VSCF/VCI Calculations Decode the Vibrational Spectrum of the Aqueous Proton.

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10.1039/c9cp03827b

The solvation effect on the kinetic rattling behaviour of the hydrated excess proton H+(aq) in water is theoretically modeled by using density functional theory (DFT) and the quantum chemical cluster model (CM).

The solvation effect on the rattling behaviour of the hydrated excess proton in water.

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What is/are Hydrated Excess?

Hydrated Excess - In this study, extensive Multiscale Reactive Molecular Dynamics simulations with explicit Grotthuss-shuttling hydrated excess protons are used to explore detailed molecular-level interactions that accompany proton transport in the +0, +1, and +2 histidine charge states. [1] The hydrated excess proton is a common species in aqueous chemistry which complexes with water in a variety of structures. [2] The solvation effect on the kinetic rattling behaviour of the hydrated excess proton H+(aq) in water is theoretically modeled by using density functional theory (DFT) and the quantum chemical cluster model (CM). [3]

hydrated excess proton

In this study, extensive Multiscale Reactive Molecular Dynamics simulations with explicit Grotthuss-shuttling hydrated excess protons are used to explore detailed molecular-level interactions that accompany proton transport in the +0, +1, and +2 histidine charge states. [1] The hydrated excess proton is a common species in aqueous chemistry which complexes with water in a variety of structures. [2] The solvation effect on the kinetic rattling behaviour of the hydrated excess proton H+(aq) in water is theoretically modeled by using density functional theory (DFT) and the quantum chemical cluster model (CM). [3]