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Density functional theory calculations and Hirshfeld surface analysis of propyl-para-hydroxybenzoate (PHB) for optoelectronic application Cover

Density functional theory calculations and Hirshfeld surface analysis of propyl-para-hydroxybenzoate (PHB) for optoelectronic application

Materials Science-Poland
Volume 38 (2020): Issue 3 (September 2020)
By: V. Mohankumar,  N. Karunagaran,  M. Senthil Pandian and  P. Ramasamy  
Open Access
|Dec 2020

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DOI: https://doi.org/10.2478/msp-2020-0046 | Journal eISSN: 2083-134X | Journal ISSN: 2083-1331
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Language: English
Page range: 386 - 393
Submitted on: Dec 14, 2017
|
Accepted on: Apr 23, 2019
|
Published on: Dec 12, 2020
Published by: Wroclaw University of Science and Technology
In partnership with: Paradigm Publishing Services
Publication frequency: 4 issues per year
Keywords:
Density Functional Theory,
HOMO-LUMO,
NLO,
Hirshfeld surface
Related subjects:
Materials sciences,
Materials sciences, other,
Nanomaterials,
Functional and smart materials,
Materials characterization and properties

© 2020 V. Mohankumar, N. Karunagaran, M. Senthil Pandian, P. Ramasamy, published by Wroclaw University of Science and Technology
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

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