DFT Computed Dielectric Response and THz Spectra of Organic Co-Crystals and Their Constituent Components

DFT Computed Dielectric Response and THz Spectra of Organic Co-Crystals and Their Constituent Components

Terahertz (THz) spectroscopy has been put forth as a non-contact, analytical probe to characterize the intermolecular interactions of biologically active molecules, specifically as a way to understand, better develop, and use active pharmaceutical ingredients. An obstacle towards fully utilizing thi...

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Bibliographic Details
Main Authors: Joseph W. Bennett, Michaella E. Raglione, Shalisa M. Oburn, Leonard R. MacGillivray, Mark A. Arnold, Sara E. Mason
Format: Article
Language:English
Published: MDPI AG 2019-03-01
Series:Molecules
Subjects:
DFT-D
co-crystals
crystal packing
dispersion
dielectric response
Online Access:http://www.mdpi.com/1420-3049/24/5/959

Internet

http://www.mdpi.com/1420-3049/24/5/959

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