scholarly journals SYNTHESIS, SPECTRAL CHARACTERIZATION,GLUCOSIDASE INHIBITION AND TD/DFT STUDY OF THE Ni(II) COMPLEXES

2018 ◽  
Author(s):  
Sümeyye Altürk ◽  
Davut Avcı ◽  
Fatih Sönmez ◽  
Ömer Tamer ◽  
Adil Başoğlu ◽  
...  
Keyword(s):  
Spectral Characterization ◽  
Dft Study ◽  
Td Dft

Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, α-Glucosidase İnhibition and TD/DFT Study

2019 ◽  
Vol 29 (4) ◽  
pp. 1265-1279 ◽  
Author(s):  
Sümeyye Altürk ◽  
Davut Avcı ◽  
Belma Zengin Kurt ◽  
Ömer Tamer ◽  
Adil Başoğlu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Spectral Characterization ◽  
Dft Study ◽  
Td Dft

scholarly journals Efficient tuning of zinc phthalocyanine-based dyes for dye-sensitized solar cells: a detailed DFT study

RSC Advances ◽  
2021 ◽  
Vol 11 (44) ◽  
pp. 27570-27582
Author(s):  
Sabir Ali Siddique ◽  
Muhammad Arshad ◽  
Sabiha Naveed ◽  
Muhammad Yasir Mehboob ◽  
Muhammad Adnan ◽  
...  
Keyword(s):  
Solar Cells ◽  
Quantum Chemical ◽  
Dye Sensitized Solar Cells ◽  
Optoelectronic Properties ◽  
Dft Study ◽  
Zinc Phthalocyanine ◽  
Dye Sensitized ◽  
Td Dft ◽  
Quantum Chemical Approach ◽  
Sensitized Solar Cells

We used a quantum chemical approach to investigate the optoelectronic properties of dyes T1–T5 for dye-sensitized solar cells using DFT and TD-DFT computation. The newly designed molecules exhibited outstanding photovoltaic and optoelectronic properties.

Aromatic Excimers: Ab Initio and TD-DFT Study

2012 ◽  
Vol 9 (1) ◽  
pp. 847-856 ◽  
Author(s):  
Maciej Kołaski ◽  
C. R. Arunkumar ◽  
Kwang S. Kim
Keyword(s):  
Ab Initio ◽  
Dft Study ◽  
Td Dft
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