Comparison of the non-linear optical properties of a dimethylaminostilbene derivative containing a molybdenum mononitrosyl redox centre and of p,p′-dimethylaminonitrostilbene, calculated by ab-initio methods

2001 ◽  
Vol 3 (18) ◽  
pp. 3901-3905 ◽  
Author(s):  
H. Reis ◽  
S. G. Raptis ◽  
M. G. Papadopoulos
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Ab Initio Methods ◽  
Non Linear ◽  
Linear Optical Properties ◽  
Linear Optical ◽  
Redox Centre

Non-linear optical properties of TeO2-based glasses: ab initio static finite-field and time-dependent calculations

2004 ◽  
Vol 345-346 ◽  
pp. 730-733 ◽  
Author(s):  
S. Suehara ◽  
P. Thomas ◽  
A. Mirgorodsky ◽  
T. Merle-Méjean ◽  
J.C. Champarnaud-Mesjard ◽  
...  
Keyword(s):  
Optical Properties ◽  
Finite Field ◽  
Ab Initio ◽  
Time Dependent ◽  
Non Linear ◽  
Linear Optical Properties ◽  
Linear Optical

scholarly journals Crystal structure of 2-ethyl-4-methyl-1-(2-oxido-3,4-dioxocyclobut-1-en-1-yl)-1H-imidazol-3-ium

2016 ◽  
Vol 72 (7) ◽  
pp. 998-1001 ◽  
Author(s):  
Ufuk Korkmaz ◽  
Iclal Bulut ◽  
Ahmet Bulut
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Hydrogen Bonding ◽  
Ab Initio ◽  
Crystal Packing ◽  
Imidazole Ring ◽  
Non Linear ◽  
Linear Optical Properties ◽  
Linear Optical ◽  
Ring Motif

In the title inner salt molecule, C10H10N2O3, the four-membered cyclobutene ring is twisted by 7.1 (2)° with respect to the five-membered imidazole ring. The crystal packing exhibits anR22(9) hydrogen-bonding ring motif through N—H...O and C—H...O interactions. The potential non-linear optical properties were studied by a computationalab initiocalculations performed at the DFT/B3LYP/6–31++G(d,p) level of theory.

scholarly journals Controlling the non-linear optical properties of MgO by tailoring the electronic structure

2020 ◽  
Vol 126 (3) ◽  
Author(s):  
Mukhtar Hussain ◽  
Hugo Pires ◽  
Willem Boutu ◽  
Dominik Franz ◽  
Rana Nicolas ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Non Linear ◽  
Linear Optical Properties ◽  
Linear Optical
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