Superalkali-based alkalides Li3O@[12-crown-4]M (where M= Li, Na, and K) with remarkable static and dynamic NLO properties; A DFT study

2022 ◽  
Vol 138 ◽  
pp. 106254
Author(s):  
Atazaz Ahsin ◽  
Khurshid Ayub
Keyword(s):  
Dft Study ◽  
Nlo Properties

Effect of the Side-Chain Length and NLO Properties of the N-ethyl-N,N,N-trialkylammonium Ionic Liquids – A DFT Study

2021 ◽  
pp. 116251
Author(s):  
M.A. Olea-Amezcua ◽  
J.E. Castellanos-Águila ◽  
H. HernÁndez-Cocoletzi ◽  
E. Ferreira ◽  
M. Trejo-Durán ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Chain Length ◽  
Dft Study ◽  
Side Chain ◽  
Side Chain Length ◽  
Nlo Properties

scholarly journals DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties

RSC Advances ◽  
2021 ◽  
Vol 11 (14) ◽  
pp. 7779-7789 ◽  
Author(s):  
Asmat Ullah Khan ◽  
Rasheed Ahmad Khera ◽  
Naveed Anjum ◽  
Rao Aqil Shehzad ◽  
Saleem Iqbal ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Carbon Nitride ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Dft Study ◽  
Nlo Properties ◽  
Non Linear ◽  
Linear Optical Properties

DFT calculations are carried out to investigate nonlinear optical (NLO) properties of superhalogen (BCl4) and superalkali (NLi4) doped graphitic carbon nitride (GCN).

scholarly journals Fluorescent vinyl and styryl coumarins: A comprehensive DFT study of structural, electronic and NLO properties

2017 ◽  
Vol 129 (12) ◽  
pp. 1829-1841 ◽  
Author(s):  
Kiran Avhad ◽  
Amol Jadhav ◽  
Nagaiyan Sekar
Keyword(s):  
Dft Study ◽  
Nlo Properties

Structural, Electronic and NLO Properties of 6-aminoquinoline: A DFT/TD-DFT Study

2021 ◽  
Author(s):  
Nupur Pandey ◽  
Mohan Singh Mehata ◽  
Sanjay Pant ◽  
Neeraj Tewari
Keyword(s):  
Dft Study ◽  
Nlo Properties ◽  
Td Dft
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