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

Year: 2025

Type: supplementary-materials

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

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.17054616

Author: Diaz Miron, Gonzalo

Institution: The Abdus Salam International Centre for Theoretical Physics (ICTP)

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7080007624

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