Novel Mn(II) and Zn(II) complexes of 6‐bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations

Redox-switchable second-order nonlinear optical (NLO) responses of a series of ferrocene-tetrathiafulvalene (Fc–TTF) hybrids have been studied based on density functional theory calculations.

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pH-Switchability and Second-Order Nonlinear Optical Properties of Monocyclopentadienylruthenium(II)/iron(II) Tetrazoles/Tetrazolates: Synthesis, Characterization, and Time-Dependent Density Functional Theory Calculations

Inorganic Chemistry ◽

10.1021/acs.inorgchem.7b00138 ◽

2017 ◽

Vol 56 (12) ◽

pp. 6849-6863 ◽

Cited By ~ 5

Author(s):

Pedro R. Florindo ◽

Paulo J. Costa ◽

M. F. M. Piedade ◽

M. Paula Robalo

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Second Order ◽

Nonlinear Optical Properties ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Preparation and spectroscopic properties, density functional theory calculations and nonlinear optical properties of poly (acrylic acid-co-acrylamide)-graft-polyaniline

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.06.112 ◽

2018 ◽

Vol 1173 ◽

pp. 268-279 ◽

Cited By ~ 5

Author(s):

H.R. Abd El-Mageed ◽

H.M. Abd El-Salam ◽

M.K. Abdel-Latif ◽

F.M. Mustafa

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Acrylic Acid ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Spectroscopic Properties ◽

Nonlinear Optical Properties ◽

Functional Theory ◽

Poly Acrylic Acid

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Density functional theory calculations on η5-monocyclopentadienylnitrilecobalt complexes concerning their second-order nonlinear optical properties

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.12.048 ◽

2005 ◽

Vol 729 (1-2) ◽

pp. 109-113 ◽

Cited By ~ 33

Author(s):

P.J. Mendes ◽

J.P. Prates Ramalho ◽

A.J.E. Candeias ◽

M.P. Robalo ◽

M.H. Garcia

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Second Order ◽

Nonlinear Optical Properties ◽

Functional Theory

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Density functional theory calculations insight to the effect of anion on the nonlinear optical properties of LiInX2 (X = S, Se)

Journal of Molecular Modeling ◽

10.1007/s00894-014-2528-6 ◽

2014 ◽

Vol 20 (12) ◽

Cited By ~ 3

Author(s):

Fanjie Kong ◽

Yiliang Liu ◽

Yanfei Hu ◽

Haijun Hou ◽

Feng Hu

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Nonlinear Optical Properties ◽

Functional Theory

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Density functional theory calculations on conformational, spectroscopic and electrical properties of 3-(2,3-dimethoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one: a potential nonlinear optical material

Indian Journal of Physics ◽

10.1007/s12648-015-0730-8 ◽

2015 ◽

Vol 90 (1) ◽

pp. 79-89 ◽

Cited By ~ 4

Author(s):

H. Pir Gümüş ◽

Ö. Tamer ◽

D. Avcı ◽

Y. Atalay

Keyword(s):

Density Functional Theory ◽

Electrical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Optical Material ◽

Nonlinear Optical Material ◽

Functional Theory

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Synthesis, spectroscopic properties, density functional theory calculations and nonlinear optical properties of novel complexes of 5-hydroxy-4,7-dimethyl-6-(phenylazo)coumarin with Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) metal ions

Applied Organometallic Chemistry ◽

10.1002/aoc.4269 ◽

2018 ◽

Vol 32 (4) ◽

pp. e4269 ◽

Cited By ~ 1

Author(s):

Samir A. Abdel-Latif ◽

H. Moustafa

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Metal Ions ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Spectroscopic Properties ◽

Nonlinear Optical Properties ◽

Functional Theory

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Electrochemical, Linear Optical, and Nonlinear Optical Properties and Interpretation by Density Functional Theory Calculations of (4-N,N-Dimethylaminostyryl)-Pyridinium Pendant Group Associated with Polypyridinic Ligands and Respective Multifunctional Metal Complexes (RuIIor ZnII)

Inorganic Chemistry ◽

10.1021/ic900060d ◽

2009 ◽

Vol 48 (17) ◽

pp. 8120-8133 ◽

Cited By ~ 29

Author(s):

Frédéric Dumur ◽

Cédric R. Mayer ◽

Khuyen Hoang-Thi ◽

Isabelle Ledoux-Rak ◽

Fabien Miomandre ◽

...

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Metal Complexes ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Nonlinear Optical Properties ◽

Pendant Group ◽

Functional Theory ◽

Linear Optical

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Optical Properties of Silver Nanoshells from Time-Dependent Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp5016565 ◽

2014 ◽

Vol 118 (23) ◽

pp. 12450-12458 ◽

Cited By ~ 23

Author(s):

Giovanni Barcaro ◽

Luca Sementa ◽

Alessandro Fortunelli ◽

Mauro Stener

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Silver Nanoshells ◽

Dependent Density

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