Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study

2017 ◽  
Vol 121 (22) ◽  
pp. 4306-4317 ◽  
Author(s):  
Cloé Azarias ◽  
Mylène Pawelek ◽  
Denis Jacquemin
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Structural And Optical Properties ◽  
Td Dft

Optical and nonlinear optical properties of Ln(Tp)2, where Ln = La,…,Lu and Tp = tris(pyrazolyl)borate: a DFT+TD-DFT study

2019 ◽  
Vol 43 (36) ◽  
pp. 14377-14389 ◽  
Author(s):  
Douniazed Hannachi ◽  
Mohamed Fahim Haroun ◽  
Ahlem Khireddine ◽  
Henry Chermette
Keyword(s):  
Optical Properties ◽  
Thermodynamic Properties ◽  
Dft Calculations ◽  
Rare Earths ◽  
Magnetic Moment ◽  
Nonlinear Optical ◽  
Dft Study ◽  
Dynamic Polarizability ◽  
Td Dft ◽  
Borate Complexes

DFT calculations of electronic, structural, thermodynamic properties, magnetic moment, static and dynamic polarizability and hyperpolarizability of Ln(Tp)2 (Ln = rare earths, Tp = ring-unsubstituted tris(pyrazolyl)borate) complexes.

Crystal Structures, Optical Properties, and TD-DFT Study of a Zinc(II) Schiff-Base Complex Derived from Salicylaldehyde and N1-(3-aminopropyl)Propane-1,3-Diamine

2016 ◽  
Vol 46 (10-12) ◽  
pp. 411-420 ◽  
Author(s):  
Murad A. AlDamen ◽  
Noureddine Charef ◽  
Hassan K. Juwhari ◽  
Kamal Sweidan ◽  
Mohammad S. Mubarak ◽  
...  
Keyword(s):  
Optical Properties ◽  
Schiff Base ◽  
Crystal Structures ◽  
Schiff Base Complex ◽  
Dft Study ◽  
Base Complex ◽  
Td Dft

A TD-DFT study of the optical properties of (2,7-fluorene)-heterocyclic derivatives

2012 ◽  
Vol 532 ◽  
pp. 63-67 ◽  
Author(s):  
Anu Adegoke ◽  
Jing Wang ◽  
Jerzy Leszczynski
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Td Dft ◽  
Heterocyclic Derivatives
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