Supplementary Information for: Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water

This repository contains the ESMD trajectories, cube files for representative pathways, input files for all calculations, and analysis scripts for spin density presented in the manuscript.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-11-25
DOI
https://doi.org/10.5281/zenodo.17054616
Primary Topic
Geochemistry and Geologic Mapping
Type
article
Field-Weighted Citation Impact
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article

Supplementary Information for: Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water

Zenodo (CERN European Organization for Nuclear Research)
Geochemistry and Geologic Mapping
article

Supplementary Information for: Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water

article en

Abstract

This repository contains the ESMD trajectories, cube files for representative pathways, input files for all calculations, and analysis scripts for spin density presented in the manuscript.

Zenodo (CERN European Organization for Nuclear Research)
The Abdus Salam International Centre for Theoretical Physics (ICTP) (IT)
Openalex Percentile: Top 53%
Geochemistry and Geologic Mapping
DOIOpen Access PDFOpenAlex
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Supplementary Information for: Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water · Zenodo (CERN European Organization for Nuclear Research) (2025) | TGRS Research Map | TGRS