READ ME

This text describes the data presented in the paper: <insert paper title> 

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Introductory information
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Files included in the data deposit (include a short description of what data are contained): 

1) Inputs for the molecular dynamics of PTZ-DBTO2
2) Quantum Chemistry inputs for sampling the MD
3) Results from Quantum chemistry.


Explain the relationship between multiple data sets, if required:
All th data sets represent the dynamics of the samie emitter, PTZ-DBTO2, but each dataset represents a different host.


Key words used to describe the data:
TADF, molecular dynamics, TDDFT, solid-state-solvation effects 


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Methodological information
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A brief method description � what the data is, how and why it was collected or created, and how it was processed:


Instruments, hardware and software used: 
Computer


Date(s) of data collection: 
2016-2017


Geographic coverage of data:



Data validation (how was the data checked, proofed and cleaned):



Overview of secondary data, if used:



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Data-specific information
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Definitions of names, labels, acronyms or specialist terminology uses for variables, records and their values: 



Explanation of weighting and grossing variables: 



Outline any missing data:



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Contact
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Please contact rdm@ncl.ac.uk for further information