Published June 11, 2024
| Version 2.0
Dataset
Open
Data for "Mechanically-Sensitive Fluorochromism by Molecular Domino Transformation in a Schiff Base Crystal"
Authors/Creators
- 1. Japan Synchrotron Radiation Research Institute
- 2. Institute for Protein Research, Osaka University
- 3. Nanyang Technological University
- 4. Shinshu University
- 5. Yokohama City University
-
6.
The University of Tokyo
- 7. Gauhati University
Description
The dataset contains input and output files of computational chemistry by Quantum ESPRESSO and Gaussian softwares conducted on two polymorphic crystal structures of 4-nitro-N-salicylideneaniline.
Files
gaussian.zip
Files
(4.7 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:07f3db0950d92a6650713652cd83d852
|
1.3 MB | Preview Download |
|
md5:fcbec39fcfadfb0f9544085fcb138731
|
3.4 MB | Preview Download |
Additional details
Dates
- Updated
-
2024-01-10Input and output files of QUANTUM Espresso and Gaussian softwares