Published February 3, 2021
| Version v2
Dataset
Open
Modelling Molecular Emitters in Organic Light Emitting Diodes with the Quantum Mechanical Bespoke Force Field
Authors/Creators
- 1. TCM Group, Cavendish Laboratory, 19 JJ Thomson Ave, Cambridge CB3 0HE, United Kingdom
- 2. School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom
Description
Raw trajectory files of the molecular dynamics samplings mentioned in the paper. The relevant *.pdb files are provided with the *.dcd files.
Files
trajectory_cbp.zip
Files
(3.8 GB)
| Name | Size | |
|---|---|---|
|
md5:99f95edbc3d5ac399eebc1723d751767
|
1.2 MB | Download |
|
md5:7ceb13615d0eb56674740b7034c7e82d
|
1.2 MB | Download |
|
md5:3965054dc336ba73ac01aa45bdd9dc2e
|
1.1 MB | Download |
|
md5:f9b9d268be08e2abede4ced1b027cb2c
|
1.3 GB | Preview Download |
|
md5:0760a431f4353ec82e55483d93d78485
|
1.3 GB | Preview Download |
|
md5:d4484948d9f358843bdc708eafee60e8
|
1.2 GB | Preview Download |