Research data supporting “Examination of L-Glutamic Acid Polymorphs by Solid-State Density Functional Theory and Terahertz Spectroscopy”

Name: Research data supporting “Examination of L-Glutamic Acid Polymorphs by Solid-State Density Functional Theory and Terahertz Spectroscopy”
Published: 2016-09-12T14:18:59Z
Keywords: polymorphs, dft, terahertz spectroscopy, xray diffraction

Ruggiero, Michael; Sibik, Juraj; Zeitler, Axel; Korter, Timothy M

Research data supporting “Examination of L-Glutamic Acid Polymorphs by Solid-State Density Functional Theory and Terahertz Spectroscopy”

Repository URI

https://www.repository.cam.ac.uk/handle/1810/260139

Repository DOI

https://doi.org/10.17863/CAM.4365

Files

research_data_for_GLU.txt (91.81 KB)

Type

Dataset

Authors

Ruggiero, Michael

https://orcid.org/0000-0003-1848-2565

Sibik, Juraj

Zeitler, Axel

https://orcid.org/0000-0002-4958-0582

Korter, Timothy M

Description

Experimental crystallographic information files (.CIF), Experimental terahertz absorption spectra, theoretical absorption spectra, Gibbs free energy curves.

Software / Usage instructions

CIF - CCDC Mercury, TXT - notepad/excel

Keywords

polymorphs, dft, terahertz spectroscopy, xray diffraction

Rights

Attribution 4.0 International

Sponsorship

EPSRC (EP/J007803/1)

EPSRC [EP/J007803/1], Royal Society, NSF [CHE-1301068]

Relationships

Supplements:

https://doi.org/10.1021/acs.jpca.6b05702

Collections

Research Data - Chemical Engineering and Biotechnology
Symplectic mapped items for data match

Research data supporting “Examination of L-Glutamic Acid Polymorphs by Solid-State Density Functional Theory and Terahertz Spectroscopy”

Repository URI

Repository DOI

Files

Type

Change log

Authors

Description

Version

Software / Usage instructions

Keywords

Publisher

Rights

Sponsorship

Relationships

Collections