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Tuning the Charge-Transport Parameters of Perylene Diimide Single Crystals via End and/or Core Functionalization: A Density Functional Theory Investigation

Journal of the American Chemical Society, 2010-03, Vol.132 (10), p.3375-3387

2010

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(Ro)vibrational Spectroscopic Constants, Lifetime and QTAIM Evaluation of Fullerene Dimers Stability

Molecules (Basel, Switzerland), 2023-06, Vol.28 (13), p.5023

2023

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Harnessing Greenhouse Gases Absorption by Doped Fullerenes with Externally Oriented Electric Field

Molecules (Basel, Switzerland), 2022-05, Vol.27 (9), p.2968

2022

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Impact of Perfluorination on the Charge-Transport Parameters of Oligoacene Crystals

Journal of the American Chemical Society, 2009-02, Vol.131 (4), p.1502-1512

2009

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Theoretical study of the interaction of fullerenes with the emerging contaminant carbamazepine for detection in aqueous environments

Scientific reports, 2022-09, Vol.12 (1), p.15848-11, Article 15848

2022

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Improving the Description of the Optical Properties of Carotenoids by Tuning the Long-Range Corrected Functionals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.4944-4950

2016

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Low-Temperature Seebeck Coefficients for Polaron-Driven Thermoelectric Effect in Organic Polymers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.4923-4927

2016

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A DFT study of a set of natural dyes for organic electronics

Journal of molecular modeling, 2017-12, Vol.23 (12), p.343-9, Article 343

2017

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Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole

Journal of organic chemistry, 2016-04, Vol.81 (7), p.2958-2965

2016

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The effect of positional disorder and the Beer-Lambert law in organic photovoltaics: A kinetic Monte Carlo simulation analysis

Journal of molecular modeling, 2022-10, Vol.28 (10), p.330-330, Article 330

2022

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Influence of Intermolecular Vibrations on the Electronic Coupling in Organic Semiconductors: The Case of Anthracene and Perfluoropentacene

Chemphyschem, 2009-09, Vol.10 (13), p.2265-2273

2009

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Strong Solvent Effects on the Nonlinear Optical Properties of Z and E Isomers from Azo-Enaminone Derivatives

Journal of physical chemistry. C, 2016-08, Vol.120 (31), p.17660-17669

2016

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Halogen Interactions in Halogenated Oxindoles: Crystallographic and Computational Investigations of Intermolecular Interactions

Molecules (Basel, Switzerland), 2021-09, Vol.26 (18), p.5487

2021

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Hole-vibronic coupling in oligothiophenes: impact of backbone torsional flexibility on relaxation energies

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2007-06, Vol.365 (1855), p.1435-1452

2007

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Investigation of the torsional barrier of EDOT using molecular mechanics and DFT methods

Journal of molecular modeling, 2014-08, Vol.20 (8), p.2405-2405, Article 2405

2014

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Can Fluorenone-Based Compounds Emit in the Blue Region? Impact of the Conjugation Length and the Ground-State Aggregation

Chemistry of materials, 2017-02, Vol.29 (4), p.1695-1707

2017

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Effect of Electronic Polarization on Charge-Transport Parameters in Molecular Organic Semiconductors

Journal of the American Chemical Society, 2006-08, Vol.128 (30), p.9882-9886

2006

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Organic Thin Film Transistors Based on N-Alkyl Perylene Diimides: Charge Transport Kinetics as a Function of Gate Voltage and Temperature

The journal of physical chemistry. B, 2004-12, Vol.108 (50), p.19281-19292

2004

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Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium() complexes

Dalton transactions : an international journal of inorganic chemistry, 2019-08, Vol.48 (3), p.1152-11535

2019

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Design, synthesis and application of fluorescent 2,1,3-benzothiadiazole-triazole-linked biologically active lapachone derivatives

New journal of chemistry, 2014, Vol.38 (6), p.2569

2014

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Exciton dissociation and charge carrier recombination processes in organic semiconductors

The Journal of chemical physics, 2011-12, Vol.135 (22), p.224901-224901-5

2011

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Limit of Exciton Diffusion in Highly Ordered π‑Conjugated Systems

Journal of physical chemistry. C, 2015-08, Vol.119 (34), p.19654-19659

2015

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Modelling charge transport of discotic liquid-crystalline triindoles: the role of peripheral substitution

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (35), p.24202-24208

2017

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A DFT study on the electronic structure of in-plane heterojunctions of graphene and hexagonal boron nitride nanoribbons

Electronic Structure, 2021-06, Vol.3 (2), p.24005

2021

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Regiochemistry of Poly(3-hexylthiophene): Synthesis and Investigation of a Conducting Polymer

Journal of chemical education, 2010-05, Vol.87 (5), p.522-525

2010

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Tuning the Charge-Transport Parameters of Perylene Diimide Single Crystals via End and/or Core Functionalization: A Density Functional Theory Investigation

(Ro)vibrational Spectroscopic Constants, Lifetime and QTAIM Evaluation of Fullerene Dimers Stability

Harnessing Greenhouse Gases Absorption by Doped Fullerenes with Externally Oriented Electric Field

Impact of Perfluorination on the Charge-Transport Parameters of Oligoacene Crystals

Theoretical study of the interaction of fullerenes with the emerging contaminant carbamazepine for detection in aqueous environments

Improving the Description of the Optical Properties of Carotenoids by Tuning the Long-Range Corrected Functionals

Low-Temperature Seebeck Coefficients for Polaron-Driven Thermoelectric Effect in Organic Polymers

A DFT study of a set of natural dyes for organic electronics

Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole

The effect of positional disorder and the Beer-Lambert law in organic photovoltaics: A kinetic Monte Carlo simulation analysis

Influence of Intermolecular Vibrations on the Electronic Coupling in Organic Semiconductors: The Case of Anthracene and Perfluoropentacene

Strong Solvent Effects on the Nonlinear Optical Properties of Z and E Isomers from Azo-Enaminone Derivatives

Halogen Interactions in Halogenated Oxindoles: Crystallographic and Computational Investigations of Intermolecular Interactions

Hole-vibronic coupling in oligothiophenes: impact of backbone torsional flexibility on relaxation energies

Investigation of the torsional barrier of EDOT using molecular mechanics and DFT methods

Can Fluorenone-Based Compounds Emit in the Blue Region? Impact of the Conjugation Length and the Ground-State Aggregation

Effect of Electronic Polarization on Charge-Transport Parameters in Molecular Organic Semiconductors

Organic Thin Film Transistors Based on N-Alkyl Perylene Diimides: Charge Transport Kinetics as a Function of Gate Voltage and Temperature

Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium() complexes

Design, synthesis and application of fluorescent 2,1,3-benzothiadiazole-triazole-linked biologically active lapachone derivatives

Exciton dissociation and charge carrier recombination processes in organic semiconductors

Limit of Exciton Diffusion in Highly Ordered π‑Conjugated Systems

Modelling charge transport of discotic liquid-crystalline triindoles: the role of peripheral substitution

A DFT study on the electronic structure of in-plane heterojunctions of graphene and hexagonal boron nitride nanoribbons

Regiochemistry of Poly(3-hexylthiophene): Synthesis and Investigation of a Conducting Polymer

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