https://github.com/tinaccil/jmol_be_nh3_visualization

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/
https://github.com/tinaccil/jmol_be_nh3_visualization

Last synced: about 2 months ago
JSON representation

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/

• Host: GitHub
• URL: https://github.com/tinaccil/jmol_be_nh3_visualization
• Owner: TinacciL
• License: gpl-3.0
• Created: 2021-06-07T11:46:14.000Z (over 3 years ago)
• Default Branch: master
• Last Pushed: 2023-04-04T13:59:24.000Z (almost 2 years ago)
• Last Synced: 2023-07-18T10:40:22.069Z (over 1 year ago)
• Language: HTML
• Homepage: https://tinaccil.github.io/Jmol_BE_NH3_visualization/
• Size: 1.59 MB
• Stars: 0
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.md

Awesome Lists containing this project

README

        
## Associated publications

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](https://pubs.acs.org/doi/10.1021/acsearthspacechem.2c00040)

```bibtex

@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](https://zenodo.org/record/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](https://pubs.acs.org/doi/10.1021/acsearthspacechem.2c00004)

```bibtex

@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.