Have a personal or library account? Click to login
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

Authors

V. Mohankumar

mohaphysics@gmail.com

SSN Research Centre, SSN College of Engineering, Chennai, India

N. Karunagaran

Department of Physics, SRM Institute of Science and Technology, Chennai, India

M. Senthil Pandian

SSN Research Centre, SSN College of Engineering, Chennai, India

P. Ramasamy

SSN Research Centre, SSN College of Engineering, Chennai, India
DOI: https://doi.org/10.2478/msp-2020-0046 | Journal eISSN: 2083-134X | Journal ISSN: 2083-1331
Journal RSS Feed
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.

Previous articleVolume 38 (2020): Issue 3 (September 2020)Next article