Zinc(II) Complexes of Acetophenone and 5-Chloro-2-hydroxy-benzophenone Thiosemicarbazones. Synthesis, Characterization, and Nonlinear Optical Properties from Quantum Chemical Calculations

Here we investigate the structural, photophysical and nonlinear optical (NLO) properties of phenoxazin-3-one dyes, resazurin (Rz) and resorufin (Rf), by performing quantum chemical calculations using the DFT and TDDFT methods.

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Quantum chemical calculations and experimental studies of third-order nonlinear optical properties of conjugated TTF–quinones

Optical Materials ◽

10.1016/j.optmat.2013.07.005 ◽

2013 ◽

Vol 36 (1) ◽

pp. 22-26 ◽

Cited By ~ 19

Author(s):

A. Karakas ◽

A. Migalska-Zalas ◽

Y. El Kouari ◽

A. Gozutok ◽

M. Karakaya ◽

...

Keyword(s):

Optical Properties ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Experimental Studies ◽

Nonlinear Optical Properties ◽

Third Order

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Spectral analysis, structural elucidation, and evaluation of both nonlinear optical properties and chemical reactivity of a newly synthesized ethyl-3,5-dimethyl-4-[(toluenesulfonyl)-hydrazonomethyl]-1H-pyrrole-2-carboxylate through experimental studies and quantum chemical calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2013.09.034 ◽

2013 ◽

Vol 1054-1055 ◽

pp. 65-75 ◽

Cited By ~ 23

Author(s):

R.N. Singh ◽

Poonam Rawat

Keyword(s):

Optical Properties ◽

Spectral Analysis ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Chemical Reactivity ◽

Experimental Studies ◽

Structural Elucidation ◽

Nonlinear Optical Properties

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Quantum chemical investigation on molecular structure, vibrational, photophysical and nonlinear optical properties of l-threoninium picrate: an admirable contender for nonlinear applications

Journal of Computational Electronics ◽

10.1007/s10825-018-1230-9 ◽

2018 ◽

Vol 17 (4) ◽

pp. 1421-1433 ◽

Cited By ~ 9

Author(s):

S. AlFaify ◽

Mohd. Shkir ◽

M. Arora ◽

Ahmad Irfan ◽

H. Algarni ◽

...

Keyword(s):

Molecular Structure ◽

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Chemical Investigation ◽

Quantum Chemical Investigation

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Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo carmine dye

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2017.04.047 ◽

2017 ◽

Vol 183 ◽

pp. 284-290 ◽

Cited By ~ 7

Author(s):

M.A.M. El-Mansy

Keyword(s):

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Chemical Reactivity ◽

Indigo Carmine ◽

Nonlinear Optical Properties ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Indigo Carmine Dye

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Quantum Chemical Research on Structures, Linear and Nonlinear Optical Properties of the Li@n-Acenes Salt (n= 1, 2, 3, and 4)

The Journal of Physical Chemistry A ◽

10.1021/jp110412n ◽

2011 ◽

Vol 115 (10) ◽

pp. 2035-2040 ◽

Cited By ~ 55

Author(s):

Cui-Cui Zhang ◽

Hong-Liang Xu ◽

Yang-Yang Hu ◽

Shi-Ling Sun ◽

Zhong-Min Su

Keyword(s):

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Chemical Research ◽

Linear And Nonlinear

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Nonlinear optical properties and spectroscopic characterization of Y-shaped polymer using quantum chemical approach

Journal of Molecular Modeling ◽

10.1007/s00894-020-04517-y ◽

2020 ◽

Vol 26 (11) ◽

Author(s):

Mahadevappa Naganathappa ◽

Sampath Ravula ◽

Balakrishna Kolli ◽

Ajay Chaudhari

Keyword(s):

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Spectroscopic Characterization ◽

Nonlinear Optical Properties ◽

Chemical Approach ◽

Quantum Chemical Approach

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The quantum-chemical study of small clusters of organic chromophores: Topological analysis and nonlinear optical properties

International Journal of Quantum Chemistry ◽

10.1002/qua.21820 ◽

2008 ◽

Vol 108 (14) ◽

pp. 2678-2692 ◽

Cited By ~ 9

Author(s):

Marina Yu. Balakina ◽

Olga D. Fominykh

Keyword(s):

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Topological Analysis ◽

Quantum Chemical Study ◽

Chemical Study ◽

Nonlinear Optical Properties ◽

Organic Chromophores ◽

Small Clusters

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Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules

Frontiers of Quantum Chemistry ◽

10.1007/978-981-10-5651-2_6 ◽

2017 ◽

pp. 117-138 ◽

Cited By ~ 7

Author(s):

Benoît Champagne ◽

Pierre Beaujean ◽

Marc de Wergifosse ◽

Marcelo Hidalgo Cardenuto ◽

Vincent Liégeois ◽

...

Keyword(s):

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Second Order ◽

Nonlinear Optical Properties ◽

Chemical Methods ◽

Conjugated Molecules ◽

Quantum Chemical Methods

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Synthesis, Light Harvesting Efficiency, Photophysical and Nonlinear Optical Properties of 3-(5-(4-hydroxybenzylideneamino)naphthalen-1-yliminomethyl)phenol: Spectroscopic and Quantum chemical approach

Research on Chemical Intermediates ◽

10.1007/s11164-021-04579-4 ◽

2021 ◽

Author(s):

Nelson Okpako Obi-Egbedi ◽

Nathanael Damilare Ojo

Keyword(s):

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Light Harvesting ◽

Nonlinear Optical Properties ◽

Chemical Approach ◽

Harvesting Efficiency ◽

Quantum Chemical Approach ◽

Light Harvesting Efficiency

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