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Accurate estimation of the photoelectric conversion efficiency of a series of anthracene-based organic dyes for dye-sensitized solar cells

Journal of materials chemistry. C, Materials for optical and electronic devices, 2020-01, Vol.8 (7), p.2388-2399

2020

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Computational Investigations on Reaction Mechanisms of the Covalent Inhibitors Ponatinib and Analogs Targeting the Extracellular Signal-Regulated Kinases

International journal of molecular sciences, 2023-10, Vol.24 (20), p.15223

2023

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Comparative study on the unimolecular decompositions of energetic regioisomers: BFTF-1 and BFTF-2

FirePhysChem (Online), 2023-12, Vol.3 (4), p.317-329

2023

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Initial unimolecular decomposition of 3,4-bis(3-fluorodinitromethylfuroxan-4-yl) furoxan from quantum mechanics and ReaxFF molecular dynamics simulation

FirePhysChem (Online), 2023-06, Vol.3 (2), p.149-157

2023

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Rational Design of Phenothiazine-Based Organic Dyes for Dye-Sensitized Solar Cells: The Influence of π‑Spacers and Intermolecular Aggregation on Their Photovoltaic Performances

Journal of physical chemistry. C, 2020-04, Vol.124 (17), p.9233-9242

2020

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Theoretical Investigation on Atmospheric Chemistry of Nitryl Cyanide: A Novel Fluorine-Free Dielectric Gas

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-06, Vol.127 (25), p.5424-5434

2023

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Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation for identification of potential ERK inhibitors

Journal of biomolecular structure & dynamics, 2024-03, Vol.42 (4), p.2153-2161

2024

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Influence of Different Molecular Design Strategies on Photovoltaic Properties of a Series of Triphenylamine-Based Organic Dyes for Dye-Sensitized Solar Cells: Insights from Theoretical Investigations

Journal of physical chemistry. C, 2020-07, Vol.124 (28), p.15036-15044

2020

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Computational Protocol for Precise Prediction of Dye-Sensitized Solar Cell Performance

Journal of physical chemistry. C, 2020-02, Vol.124 (7), p.3980-3987

2020

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Rational Design of High-Efficiency Organic Dyes in Dye-Sensitized Solar Cells by Multiscale Simulations

Journal of physical chemistry. C, 2018-11, Vol.122 (44), p.25219-25228

2018

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6‑Iodopurine as a Versatile Building Block for RNA Purine Architecture Modifications

Bioconjugate chemistry, 2022-02, Vol.33 (2), p.353-362

2022

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Inclusion of aggregation effect to evaluate the performance of organic dyes in dye-sensitized solar cells

Applied surface science, 2018-05, Vol.439, p.160-167

2018

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Exploring the properties of carbazole-based derivatives as hole transport materials from first principle and MD simulation

Organic electronics, 2018-03, Vol.54, p.14-20

2018

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Rational design of D-π-A organic dyes to prevent “trade off” effect in dye-sensitized solar cells

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2019-10, Vol.221, p.117167, Article 117167

2019

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Introducing chenodeoxycholic acid coadsorbent and strong electron-withdrawing group in indoline dyes to design high-performance solar cells: a remarkable theoretical improvement

Journal of materials chemistry. C, Materials for optical and electronic devices, 2021, Vol.9 (17), p.58-587

2021

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Multiscale simulations to uncover the relationship between hydrogen bond and viscosity for ammonium-based ionic liquids

Journal of molecular liquids, 2018-11, Vol.269, p.839-846

2018

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Star‐Shaped Molecules as Dopant‐Free Hole Transporting Materials for Efficient Perovskite Solar Cells: Multiscale Simulation

Chemical record, 2019-05, Vol.19 (5), p.938-946

2019

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Theoretical Predictions of the Initial Steps for the Unimolecular Decomposition of 3,4-Bis(3-Fluorodinitromethylfuroxan-4-Yl) Furoxan

SSRN Electronic Journal

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Hydrothermal synthesis of mesoporous Mg3Si2O5(OH)4 microspheres as high-performance adsorbents for dye removal

Chemical engineering journal (Lausanne, Switzerland : 1996), 2018-02, Vol.334, p.377-388

2018

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Gas sensors based on ytterbium ferrites nanocrystalline powders for detecting acetone with low concentrations

Sensors and actuators. B, Chemical, 2017-07, Vol.246, p.9-19

2017

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CCL2 regulation of MST1-mTOR-STAT1 signaling axis controls BCR signaling and B-cell differentiation

Cell death and differentiation, 2021-09, Vol.28 (9), p.2616-2633

2021

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Green building technologies adoption process in China: How environmental policies are reshaping the decision-making among alliance-based construction enterprises?

Sustainable cities and society, 2021-10, Vol.73, p.103122, Article 103122

2021

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Experimental study on mechanical properties, acoustic emission characteristics and energy evolution of coal samples after freezing with liquid nitrogen

Fuel (Guildford), 2022-08, Vol.321, p.123955, Article 123955

2022

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Single-cell 3D genome structure reveals distinct human pluripotent states

Genome Biology, 2024-05, Vol.25 (1), p.122-31, Article 122

2024

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Novel application of red mud: Facile hydrothermal-thermal conversion synthesis of hierarchical porous AlOOH and Al2O3 microspheres as adsorbents for dye removal

Chemical engineering journal (Lausanne, Switzerland : 1996), 2017-08, Vol.321, p.622-634

2017

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Accurate estimation of the photoelectric conversion efficiency of a series of anthracene-based organic dyes for dye-sensitized solar cells

Computational Investigations on Reaction Mechanisms of the Covalent Inhibitors Ponatinib and Analogs Targeting the Extracellular Signal-Regulated Kinases

Comparative study on the unimolecular decompositions of energetic regioisomers: BFTF-1 and BFTF-2

Initial unimolecular decomposition of 3,4-bis(3-fluorodinitromethylfuroxan-4-yl) furoxan from quantum mechanics and ReaxFF molecular dynamics simulation

Rational Design of Phenothiazine-Based Organic Dyes for Dye-Sensitized Solar Cells: The Influence of π‑Spacers and Intermolecular Aggregation on Their Photovoltaic Performances

Theoretical Investigation on Atmospheric Chemistry of Nitryl Cyanide: A Novel Fluorine-Free Dielectric Gas

Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation for identification of potential ERK inhibitors

Influence of Different Molecular Design Strategies on Photovoltaic Properties of a Series of Triphenylamine-Based Organic Dyes for Dye-Sensitized Solar Cells: Insights from Theoretical Investigations

Computational Protocol for Precise Prediction of Dye-Sensitized Solar Cell Performance

Rational Design of High-Efficiency Organic Dyes in Dye-Sensitized Solar Cells by Multiscale Simulations

6‑Iodopurine as a Versatile Building Block for RNA Purine Architecture Modifications

Inclusion of aggregation effect to evaluate the performance of organic dyes in dye-sensitized solar cells

Exploring the properties of carbazole-based derivatives as hole transport materials from first principle and MD simulation

Rational design of D-π-A organic dyes to prevent “trade off” effect in dye-sensitized solar cells

Introducing chenodeoxycholic acid coadsorbent and strong electron-withdrawing group in indoline dyes to design high-performance solar cells: a remarkable theoretical improvement

Multiscale simulations to uncover the relationship between hydrogen bond and viscosity for ammonium-based ionic liquids

Star‐Shaped Molecules as Dopant‐Free Hole Transporting Materials for Efficient Perovskite Solar Cells: Multiscale Simulation

Theoretical Predictions of the Initial Steps for the Unimolecular Decomposition of 3,4-Bis(3-Fluorodinitromethylfuroxan-4-Yl) Furoxan

Hydrothermal synthesis of mesoporous Mg3Si2O5(OH)4 microspheres as high-performance adsorbents for dye removal

Gas sensors based on ytterbium ferrites nanocrystalline powders for detecting acetone with low concentrations

CCL2 regulation of MST1-mTOR-STAT1 signaling axis controls BCR signaling and B-cell differentiation

Green building technologies adoption process in China: How environmental policies are reshaping the decision-making among alliance-based construction enterprises?

Experimental study on mechanical properties, acoustic emission characteristics and energy evolution of coal samples after freezing with liquid nitrogen

Single-cell 3D genome structure reveals distinct human pluripotent states

Novel application of red mud: Facile hydrothermal-thermal conversion synthesis of hierarchical porous AlOOH and Al2O3 microspheres as adsorbents for dye removal

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