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Theoretical Distribution of the Ammonia Binding Energy at Interstellar Icy Grains: A New Computational Framework Lorenzo Tinacci, Auréle Germain, Stefano Pantaleone, Stefano Ferrero, Cecilia Ceccarelli, and Piero Ugliengo ACS Earth and Space Chemistry Article, 2022, 6, 6, 1514–1526

DOI:10.1021/acsearthspacechem.2c00040

@article{Lorenzo_NH3_BE,
author = {Tinacci, Lorenzo and Germain, Auréle and Pantaleone, Stefano and Ferrero, Stefano and Ceccarelli, Cecilia and Ugliengo, Piero},
title = {Theoretical Distribution of the Ammonia Binding Energy at Interstellar Icy Grains: A New Computational Framework},
journal = {ACS Earth and Space Chemistry},
volume = {6},
number = {6},
pages = {1514--1526},
year = {2022},
doi = {10.1021/acsearthspacechem.2c00040},
publisher={ACS Publications},
}

The database of all the structures is available at the following: DOI:10.5281/zenodo.7389281

Computer Generated Realistic Interstellar Icy Grain Models: Physicochemical Properties and Interaction with NH3 Aurèle Germain, Lorenzo Tinacci, Stefano Pantaleone, Cecilia Ceccarelli, and Piero Ugliengo ACS Earth and Space Chemistry 2022 6 (5), 1286-1298

DOI: 10.1021/acsearthspacechem.2c00004

@article{Aurele_grain,
  title={Computer Generated Realistic Interstellar Icy Grain Models: Physicochemical Properties and Interaction with NH3},
  author={Germain, Aurèle and Tinacci, Lorenzo and Pantaleone, Stefano and Ceccarelli, Cecilia and Ugliengo, Piero},
  journal={ACS Earth and Space Chemistry},
  volume={6},
  number={5},
  pages={1286--1298},
  year={2022},
  publisher={ACS Publications},
  doi = {10.1021/acsearthspacechem.2c00004},
}

Acknowledgments

This project has received funding within the European Union’s Horizon 2020 research and innovation programme from the Marie Sklodowska-Curie for the project ”Astro-Chemical Origins” (ACO), grant agreement No 811312.

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HTML webpage with the Jmol applet in order to display all the ammonia BEs on icy grain. To see it go to: https://tinaccil.github.io/Jmol_BE_NH3_visualization/

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