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Theoretical Studies of Photophysical Properties of D-π-A-π-D-Type Diketopyrrolopyrrole-Based Molecules for Organic Light-Emitting Diodes and Organic Solar Cells

Molecules (Basel, Switzerland), 2020-02, Vol.25 (3), p.667

2020

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Molecular design of D–π–A–π–D small molecule donor materials with narrow energy gap for organic solar cells applications

Journal of molecular modeling, 2023-09, Vol.29 (9), p.273-273, Article 273

2023

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Study of self-assembly system of norfloxacin molecularly imprinted polymers based on simulated design

Theoretical chemistry accounts, 2021, Vol.140 (1), Article 11

2021

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DFT and TD-DFT study on the optical and electronic properties of derivatives of 1,4-bis(2-substituted-1,3,4-oxadiazole)benzene

Arabian journal of chemistry, 2017-05, Vol.10 (S2), p.S2988-S2993

2017

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Optical and charge transport properties of N-butyl-1,8-naphthalimide derivatives as organic light-emitting materials: A theoretical study

Journal of luminescence, 2014-05, Vol.149, p.125-132

2014

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Study on Na+ Storage Mechanisms of Carbon Black

Electrochemistry, 2024/03/07, Vol.92(3), pp.037002-037002

2024

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Theoretical Characterization and Design of Triarylborane-Based Thermally Activated Delayed Fluorescent Molecules for Organic Light-Emitting Diodes

Russian Journal of Physical Chemistry A, 2024-07, Vol.98 (7), p.1547-1554

2024

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Theoretical research of molecular imprinted polymers formed from formaldehyde and methacrylic acid

Journal of molecular modeling, 2020-03, Vol.26 (4), p.88-88, Article 88

2020

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Removal of Chromium(VI) from Aqueous Solutions Using Fe₃O₄ Magnetic Polymer Microspheres Functionalized with Amino Groups

Materials, 2015-12, Vol.8 (12), p.8378-8391

2015

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Rational Design of π-Conjugated Tricoordinated Organoboron Derivatives With Thermally Activated Delayed Fluorescent Properties for Application in Organic Light-Emitting Diodes

Frontiers in chemistry, 2020-09, Vol.8, p.577834-577834

2020

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Theoretical Design and Adsorption Properties of Molecularly Imprinted Polymers Obtained from Chloramphenicol and Acrylamide

Chemical research in Chinese universities, 2020-10, Vol.36 (5), p.915-920

2020

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Rational Design of Low-Band Gap Star-Shaped Molecules With 2,4,6-Triphenyl-1,3,5-triazine as Core and Diketopyrrolopyrrole Derivatives as Arms for Organic Solar Cells Applications

Frontiers in chemistry, 2019-03, Vol.7, p.122-122

2019

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Design of sensitizer with suitable frontier molecular orbital via substitution on starburst triphenylamine derivative

Journal of molecular modeling, 2021-06, Vol.27 (6), p.167-167, Article 167

2021

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Theoretical design and preparation of molecularly imprinted polymers of formaldehyde and acrylamide

Journal of polymer research, 2021-11, Vol.28 (11), Article 433

2021

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Theoretical study on the effect of spacer groups on the nonlinear optical properties of polyvinyl carbazole molecular fragments

Structural chemistry, 2020-08, Vol.31 (4), p.1471-1479

2020

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Theoretical Investigations of the Photophysical Properties of Star-Shaped π-Conjugated Molecules with Triarylboron Unit for Organic Light-Emitting Diodes Applications

International journal of molecular sciences, 2017-10, Vol.18 (10), p.2178

2017

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Theoretical Study on Nonlinear Optical Properties of M3-Phenalenyl and M3O-Phenalenyl (M = Li, Na, K) Molecules

Russian Journal of Physical Chemistry A, 2022-04, Vol.96 (Suppl 1), p.S95-S100

2022

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Photophysical Properties of Derivatives of 2‑(2-Hydroxyphen-yl)-1,3,4-oxadiazole: A Theoretical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (34), p.8285-8292

2013

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Rational Design of Diketopyrrolopyrrole-Based Small Moleculesas Donating Materials for Organic Solar Cells

International journal of molecular sciences, 2015-08, Vol.16 (9), p.20326-20343

2015

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Design of Acceptors with Suitable Frontier Molecular Orbitals to Match Donors via Substitutions on Perylene Diimide for Organic Solar Cells

International journal of molecular sciences, 2016-05, Vol.17 (5), p.721-721

2016

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Effects of high pressure homogenization on rheological properties of rice starch

CYTA: journal of food, 2019-01, Vol.17 (1), p.716-723

2019

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Study on Dicyandiamide-Imprinted Polymers with Computer-Aided Design

International journal of molecular sciences, 2016-11, Vol.17 (11), p.1750-1750

2016

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A DFT study of pyrrole-isoxazole derivatives as chemosensors for fluoride anion

International journal of molecular sciences, 2012-09, Vol.13 (9), p.10986-10999

2012

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Molecular design of organic small molecules based on diindole–diimide with fused aromatic heterocycles as donors for organic solar cells

RSC advances, 2017, Vol.7 (63), p.39899-39905

2017

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Theoretical investigation of the radical scavenging activity of shikonin and acylshikonin derivatives

Journal of molecular modeling, 2012-04, Vol.18 (4), p.1401-1408

2012

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Theoretical Studies of Photophysical Properties of D-π-A-π-D-Type Diketopyrrolopyrrole-Based Molecules for Organic Light-Emitting Diodes and Organic Solar Cells

Molecular design of D–π–A–π–D small molecule donor materials with narrow energy gap for organic solar cells applications

Study of self-assembly system of norfloxacin molecularly imprinted polymers based on simulated design

DFT and TD-DFT study on the optical and electronic properties of derivatives of 1,4-bis(2-substituted-1,3,4-oxadiazole)benzene

Optical and charge transport properties of N-butyl-1,8-naphthalimide derivatives as organic light-emitting materials: A theoretical study

Study on Na+ Storage Mechanisms of Carbon Black

Theoretical Characterization and Design of Triarylborane-Based Thermally Activated Delayed Fluorescent Molecules for Organic Light-Emitting Diodes

Theoretical research of molecular imprinted polymers formed from formaldehyde and methacrylic acid

Removal of Chromium(VI) from Aqueous Solutions Using Fe₃O₄ Magnetic Polymer Microspheres Functionalized with Amino Groups

Rational Design of π-Conjugated Tricoordinated Organoboron Derivatives With Thermally Activated Delayed Fluorescent Properties for Application in Organic Light-Emitting Diodes

Theoretical Design and Adsorption Properties of Molecularly Imprinted Polymers Obtained from Chloramphenicol and Acrylamide

Rational Design of Low-Band Gap Star-Shaped Molecules With 2,4,6-Triphenyl-1,3,5-triazine as Core and Diketopyrrolopyrrole Derivatives as Arms for Organic Solar Cells Applications

Design of sensitizer with suitable frontier molecular orbital via substitution on starburst triphenylamine derivative

Theoretical design and preparation of molecularly imprinted polymers of formaldehyde and acrylamide

Theoretical study on the effect of spacer groups on the nonlinear optical properties of polyvinyl carbazole molecular fragments

Theoretical Investigations of the Photophysical Properties of Star-Shaped π-Conjugated Molecules with Triarylboron Unit for Organic Light-Emitting Diodes Applications

Theoretical Study on Nonlinear Optical Properties of M3-Phenalenyl and M3O-Phenalenyl (M = Li, Na, K) Molecules

Photophysical Properties of Derivatives of 2‑(2-Hydroxyphen-yl)-1,3,4-oxadiazole: A Theoretical Study

Rational Design of Diketopyrrolopyrrole-Based Small Moleculesas Donating Materials for Organic Solar Cells

Design of Acceptors with Suitable Frontier Molecular Orbitals to Match Donors via Substitutions on Perylene Diimide for Organic Solar Cells

Effects of high pressure homogenization on rheological properties of rice starch

Study on Dicyandiamide-Imprinted Polymers with Computer-Aided Design

A DFT study of pyrrole-isoxazole derivatives as chemosensors for fluoride anion

Molecular design of organic small molecules based on diindole–diimide with fused aromatic heterocycles as donors for organic solar cells

Theoretical investigation of the radical scavenging activity of shikonin and acylshikonin derivatives

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