Charge transport, optical and nonlinear optical properties of $$\hbox {CF}_{3}$$ CF 3 -substituted acene compounds: a DFT study

Theoretical Chemistry Accounts ◽

10.1007/s00214-017-2131-x ◽

2017 ◽

Vol 136 (9) ◽

Author(s):

Smruti Ranjan Sahoo ◽

Sridhar Sahu ◽

Sagar Sharma

Keyword(s):

Optical Properties ◽

Charge Transport ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

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Geometrical structure, electronic and nonlinear optical properties of square-planar heteroleptic complexes containing bypridine and pyrazine dithiolate derivatives as dye-sensitized solar cell: A DFT study

Applied Organometallic Chemistry ◽

10.1002/aoc.4626 ◽

2018 ◽

Vol 33 (1) ◽

pp. e4626 ◽

Author(s):

Sepideh Samiee ◽

Samira Taghvaeian

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Geometrical Structure ◽

Nonlinear Optical Properties ◽

Dft Study ◽

Dye Sensitized Solar Cell ◽

Dye Sensitized ◽

Heteroleptic Complexes ◽

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Investigating the electronic and nonlinear optical properties of fullerene by substituting N, P, As, and Sb in the lattice structure: a DFT study

Applied Physics A ◽

10.1007/s00339-020-3300-7 ◽

2020 ◽

Vol 126 (2) ◽

Author(s):

Samir Thakur ◽

Sankar M. Borah ◽

Ashok Singh ◽

Nirab C. Adhikary

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Lattice Structure ◽

Nonlinear Optical Properties ◽

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Linear & nonlinear optical properties of undoped & doped graphene nanoribbon via TD-DFT study

10.1063/5.0030597 ◽

2020 ◽

Author(s):

Mohammed L. Jabbar ◽

Kadhim J. Kadhim

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Graphene Nanoribbon ◽

Nonlinear Optical Properties ◽

Dft Study ◽

Td Dft ◽

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Molecular structure, vibrational spectra and nonlinear optical properties of l-Valine Hydrobromide: DFT study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.10.012 ◽

2011 ◽

Vol 985 (1) ◽

pp. 48-56 ◽

Author(s):

M. Amalanathan ◽

I. Hubert Joe ◽

V.K. Rastogi

Keyword(s):

Molecular Structure ◽

Optical Properties ◽

Vibrational Spectra ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

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DFT study of linear and nonlinear optical properties of donor-acceptor substituted stilbenes, azobenzenes and benzilideneanilines

Journal of Molecular Modeling ◽

10.1007/s00894-009-0623-x ◽

2009 ◽

Vol 16 (4) ◽

pp. 659-668 ◽

Author(s):

Przemysław Krawczyk

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Dft Study ◽

Donor Acceptor ◽

Linear And Nonlinear

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How Do the Different Defect Structures and Element Substitutions Affect the Nonlinear Optical Properties of Lacunary Keggin Polyoxometalates? A DFT Study.

10.1002/chin.200649012 ◽

2006 ◽

Vol 37 (49) ◽

Author(s):

Wei Guan ◽

Guo-Chun Yang ◽

Li-Kai Yan ◽

Zhong-Min Su

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Dft Study ◽

Defect Structures

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DFT study on second-order nonlinear optical properties of Pt(II) complexes with different chromophores

Science in China Series B Chemistry ◽

10.1007/s11426-008-0024-5 ◽

2009 ◽

Vol 52 (2) ◽

pp. 144-152 ◽

Author(s):

XiaoDong Liu ◽

YongQing Qiu ◽

Hui Chen ◽

Na Li ◽

ShiLing Sun ◽

...

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Second Order ◽

Nonlinear Optical Properties ◽

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Influence of transition metal atoms doping on structural, electronic and nonlinear optical properties of Mg12O12 nanoclusters: A DFT study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2015.10.035 ◽

2016 ◽

Vol 77 ◽

pp. 48-53 ◽

Author(s):

Hamid Reza Shamlouei ◽

Amin Nouri ◽

Asghar Mohammadi ◽

Abbas Dadkhah Tehrani

Keyword(s):

Optical Properties ◽

Transition Metal ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Dft Study ◽

Metal Atoms ◽

Transition Metal Atoms

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Redox and Photoisomerization Switching the Second-Order Nonlinear Optical Properties of a Tetrathiafulvalene Derivative Across Six States: A DFT Study

The Journal of Physical Chemistry C ◽

10.1021/jp2049958 ◽

2011 ◽

Vol 115 (48) ◽

pp. 23946-23954 ◽

Author(s):

Chun-Guang Liu ◽

Zhong-Min Su ◽

Xiao-Hui Guan ◽

Shabbir Muhammad

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Second Order ◽

Nonlinear Optical Properties ◽

Dft Study ◽

Tetrathiafulvalene Derivative

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DFT Study on the Nonlinear Optical Properties of Bisimidazole and Bistriazole Benzenes and Their Derivatives

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb20091220 ◽

2010 ◽

Vol 26 (01) ◽

pp. 120-124

Author(s):

LIU Hai-Bo ◽

◽

◽

QIU Yong-Qing ◽

SUN Shi-Ling ◽

...

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

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