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Physical Chemistry Chemical Physics : PCCP
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June 29, 2021
Molecular dynamics study of wetting of alkanes on water: from high temperature to the supercooled region and the influence of second inflection points of interfacial tensions
Pauf Neupane, Gerald Wilemski
The Journal of Physical Chemistry. B
|
January 7, 2024
Exploring the Unusual Reactivity of the Hydrated Electron with CO<sub>2</sub>
Pauf Neupane, David M Bartels, Ward H Thompson
The Journal of Physical Chemistry. B
|
August 9, 2023
Empirically Optimized One-Electron Pseudopotential for the Hydrated Electron: A Proof-of-Concept Study
Pauf Neupane, David M Bartels, Ward H Thompson
The Journal of Physical Chemistry. B
|
June 22, 2023
Relation between the Hydrated Electron Solvation Structure and Its Partial Molar Volume
Pauf Neupane, David M Bartels, Ward H Thompson
The Journal of Physical Chemistry Letters
|
September 22, 2022
Investigation of the Failure of Marcus Theory for Hydrated Electron Reactions
Pauf Neupane, Ankita Katiyar, David M Bartels, et al.
The Journal of Physical Chemistry. B
|
July 30, 2025
<i>Ab Initio</i> Molecular Dynamics Study of the Reduction of Acetone by the Hydrated Electron
Wilberth A Narvaez, Pauf Neupane, David M Bartels, et al.
Biorxiv : the Preprint Server for Biology
|
June 4, 2026
Multiscale Free-Energy Methods for Protonation-Coupled Light-Responsive Binding of Ionizable Photoswitchable eDHFR Inhibitors
Mohammad Khavani, Kambham Devendra Reddy, Pauf Neupane, et al.
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Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
June 29, 2021
Molecular dynamics study of wetting of alkanes on water: from high temperature to the supercooled region and the influence of second inflection points of interfacial tensions
Pauf Neupane, Gerald Wilemski
The Journal of Physical Chemistry. B
|
January 7, 2024
Exploring the Unusual Reactivity of the Hydrated Electron with CO<sub>2</sub>
Pauf Neupane, David M Bartels, Ward H Thompson
The Journal of Physical Chemistry. B
|
August 9, 2023
Empirically Optimized One-Electron Pseudopotential for the Hydrated Electron: A Proof-of-Concept Study
Pauf Neupane, David M Bartels, Ward H Thompson
The Journal of Physical Chemistry. B
|
June 22, 2023
Relation between the Hydrated Electron Solvation Structure and Its Partial Molar Volume
Pauf Neupane, David M Bartels, Ward H Thompson
The Journal of Physical Chemistry Letters
|
September 22, 2022
Investigation of the Failure of Marcus Theory for Hydrated Electron Reactions
Pauf Neupane, Ankita Katiyar, David M Bartels, et al.
The Journal of Physical Chemistry. B
|
July 30, 2025
<i>Ab Initio</i> Molecular Dynamics Study of the Reduction of Acetone by the Hydrated Electron
Wilberth A Narvaez, Pauf Neupane, David M Bartels, et al.
Biorxiv : the Preprint Server for Biology
|
June 4, 2026
Multiscale Free-Energy Methods for Protonation-Coupled Light-Responsive Binding of Ionizable Photoswitchable eDHFR Inhibitors
Mohammad Khavani, Kambham Devendra Reddy, Pauf Neupane, et al.
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of 1