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Theoretical study of new 3-(methylthio)-8-phenyl-8H-thieno[2,3-b]indole derivatives for application in DSSC: Solvent effect, adsorption process on the surface of TiO2

Arabian journal of chemistry, 2024-01, Vol.17 (1), p.105457, Article 105457

2024

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Theoretical study on the efficiency of new organic dyes based on (E)-2-(2-(thiophen-3-yl)vinyl)-1,1′-bipyrrole as dye-sensitized solar cell sensitizers

ChemPhysMater, 2024-10, Vol.3 (4), p.440-450

2024

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Deep learning-driven QSPR models for accurate properties estimation in organic solar cells using extended connectivity fingerprints

Computational materials science, 2024-07, Vol.243, Article 113146

2024

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Electrons Are Transported through Phenylene−Ethynylene Oligomer Monolayers via Localized Molecular Orbitals

Journal of the American Chemical Society, 2004-03, Vol.126 (8), p.2568-2573

2004

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Corrosion inhibition of carbon steel in aggressive acidic media with 1-(2-(4-chlorophenyl)-2-oxoethyl)pyridazinium bromide

Journal of molecular liquids, 2015-11, Vol.211, p.1000-1008

2015

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Influence of the nature of the anchoring group on electron injection processes at dye-titania interfaces

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (43), p.29389-29401

2017

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Influence of the nature of the anchoring group on the interfacial energy level alignment in dye-sensitized solar cells: A theoretical perspective

Physical review materials, 2020-11, Vol.4 (11), Article 115401

2020

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Ceratonia siliqua L seeds extract: Experimental analysis and simulation study

Materials today : proceedings, 2023, Vol.72, p.3705-3711

2023

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Influence of the nature of the anchoring group on electron injection processes at dye-titania interfacesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05638a

2017-11

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Antioxidative activity of Pistacia lentiscus leaf extract main components: Experimental and theoretical study

Materials today : proceedings, 2023, Vol.72, p.3275-3279

2023

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The Oil from Mentha rotundifolia as Green Inhibitor of Carbon Steel Corrosion in Hydrochloric Acid

Chemical engineering communications, 2016-02, Vol.203 (2), p.270-277

2016

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Inhibition effect of E and Z conformations of 2-pyridinealdazine on mild steel corrosion in phosphoric acid

Anti-corrosion methods and materials, 2017-01, Vol.64 (1), p.23-35

2017

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Structure of dicyano-pyridinium methylide and amidocyano-pyridinium methylide using ab initio and semi-empirical methods

Journal of molecular structure, 1997-11, Vol.435 (1), p.35-47

1997

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Exploring the Applicability of Novel Indolic Semiconductors in Dye-Sensitized Solar Cells: Theoretical Forecasting and Assessment of Electron Injection into TiO2

Advanced Materials for Sustainable Energy and Engineering, 2024, p.369-376

2024

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A comparative X-ray diffraction study and ab initio MO calculations on amidocyanopyridinium methylide

Journal of molecular structure, 1997-04, Vol.406 (1), p.45-49

1997

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Resonant Tunneling Processes along Conjugated Molecular Wires: A Quantum-Chemical Description

Advanced functional materials, 2002-12, Vol.12 (11-12), p.787-794

2002

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Structure and Reactivity of Cycloimmonium Ylides

Heterocycles, 1999-04, Vol.51 (4), p.863

1999

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A density functional theory study on the reactivity of monosubstituted cycloimmonium ylides

Journal of molecular structure, 1999-02, Vol.476 (1), p.105-119

1999

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A density functional theory study on the reactivity of disubstituted cycloimmonium ylides

Journal of molecular structure, 1998-11, Vol.471 (1), p.83-93

1998

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A comparative molecular field analysis of the structure of cycloimmonium ylides. A derived synthesis methodology for planar and non-planar cycloimmonium ylides

Journal of molecular structure, 1999-02, Vol.476 (1), p.121-131

1999

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ChemInform Abstract: Structure and Reactivity of Cycloimmonium Ylides

ChemInform, 1999-06, Vol.30 (25), p.no-no

1999

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Theoretical study of new 3-(methylthio)-8-phenyl-8H-thieno[2,3-b]indole derivatives for application in DSSC: Solvent effect, adsorption process on the surface of TiO2

Theoretical study on the efficiency of new organic dyes based on (E)-2-(2-(thiophen-3-yl)vinyl)-1,1′-bipyrrole as dye-sensitized solar cell sensitizers

Deep learning-driven QSPR models for accurate properties estimation in organic solar cells using extended connectivity fingerprints

Electrons Are Transported through Phenylene−Ethynylene Oligomer Monolayers via Localized Molecular Orbitals

Corrosion inhibition of carbon steel in aggressive acidic media with 1-(2-(4-chlorophenyl)-2-oxoethyl)pyridazinium bromide

Influence of the nature of the anchoring group on electron injection processes at dye-titania interfaces

Influence of the nature of the anchoring group on the interfacial energy level alignment in dye-sensitized solar cells: A theoretical perspective

Ceratonia siliqua L seeds extract: Experimental analysis and simulation study

Influence of the nature of the anchoring group on electron injection processes at dye-titania interfacesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp05638a

Antioxidative activity of Pistacia lentiscus leaf extract main components: Experimental and theoretical study

The Oil from Mentha rotundifolia as Green Inhibitor of Carbon Steel Corrosion in Hydrochloric Acid

Inhibition effect of E and Z conformations of 2-pyridinealdazine on mild steel corrosion in phosphoric acid

Structure of dicyano-pyridinium methylide and amidocyano-pyridinium methylide using ab initio and semi-empirical methods

Exploring the Applicability of Novel Indolic Semiconductors in Dye-Sensitized Solar Cells: Theoretical Forecasting and Assessment of Electron Injection into TiO2

A comparative X-ray diffraction study and ab initio MO calculations on amidocyanopyridinium methylide

Resonant Tunneling Processes along Conjugated Molecular Wires: A Quantum-Chemical Description

Structure and Reactivity of Cycloimmonium Ylides

A density functional theory study on the reactivity of monosubstituted cycloimmonium ylides

A density functional theory study on the reactivity of disubstituted cycloimmonium ylides

A comparative molecular field analysis of the structure of cycloimmonium ylides. A derived synthesis methodology for planar and non-planar cycloimmonium ylides

ChemInform Abstract: Structure and Reactivity of Cycloimmonium Ylides

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