DFT Investigation of Corrosion Inhibition and Nonlinear Optical Behaviour of Phenylimidazolidin-4-One Derivative

Author(s):  
R. Namitha ◽  
E. Vidya
2016 ◽  
Vol 4 (41) ◽  
pp. 9717-9726 ◽  
Author(s):  
Sarbjeet Kaur ◽  
Nick Van Steerteghem ◽  
Paramjit Kaur ◽  
Koen Clays ◽  
Kamaljit Singh

New, thermally stable dipolar ferrocene–diketopyrrolopyrrole (Fc–DPP) dyads with alkene as a linker exhibited structure dependent first hyperpolarizabilities,βHRS, recorded by a femtosecond HRS technique using a femtosecond (120 fs) pulsed laser light system at 900 nm at ambient temperature.


2017 ◽  
Vol 140 ◽  
pp. 417-430 ◽  
Author(s):  
Njemuwa Nwaji ◽  
David O. Oluwole ◽  
John Mack ◽  
Marcel Louzada ◽  
Samson Khene ◽  
...  

2017 ◽  
Vol 41 (5) ◽  
pp. 2020-2028 ◽  
Author(s):  
Njemuwa Nwaji ◽  
John Mack ◽  
Jonathan Britton ◽  
Tebello Nyokong

Ball-type phthalocyanines containing heavy central metals show enhanced nonlinear optical behaviour in solution or when embedded in polymer thin films. Time dependent density functional theory (TD-DFT) calculations were used to explain the spectra.


2021 ◽  
Vol 188 ◽  
pp. 109235
Author(s):  
Yuehua Yuan ◽  
Wenfa Zhou ◽  
Maozhong Tian ◽  
Jiangtao Song ◽  
Yunfeng Bai ◽  
...  

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