Possible NLO response and electrical/charge transfer capabilities of natural anthraquinones as p-type organic semiconductors: a DFT approach

Krishna, P. U. Neenu; Muraleedharan, K.

doi:10.1007/s00894-024-05848-w

J Mol Model

2024

DOI: 10.1007/s00894-024-05848-w

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Possible NLO response and electrical/charge transfer capabilities of natural anthraquinones as p-type organic semiconductors: a DFT approach

P. U. Neenu Krishna,

K. Muraleedharan

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Cited by 3 publications

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Possible NLO response and electrical/charge transfer capabilities of natural anthraquinones as p-type organic semiconductors: a DFT approach

Cited by 3 publications

References 99 publications

The effect of the oxygen dangling on the thermoelectric properties of organic Thienoisoindigo single-molecule junction

The effect of the oxygen dangling on the thermoelectric properties of organic Thienoisoindigo single-molecule junction

The influence of Hf (IV) metal chelation on the charge transfer and optoelectronic characteristics of Piceatannol as potential organic semiconductors: A theoretical study

Comprehensive analysis of Indacaterol and Theophylline molecules: insights from DFT, FTIR, Raman, UV, molecular docking, and ADMET studies

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