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Assessing alkyl side chain effects on electron transport properties of Y6-derived non-fullerene acceptors

ENERGY ADVANCES (2023)

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Side-Chain Isomerization on an n-type Organic Semiconductor ITIC Acceptor Makes 11.77% High Efficiency Polymer Solar Cells

Yankang Yang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

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Article Chemistry, Multidisciplinary

The Cambridge Structural Database

Colin R. Groom et al.

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS (2016)

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Editorial Material Nanoscience & Nanotechnology

Organic photovoltaics

Karl Leo

NATURE REVIEWS MATERIALS (2016)

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Article Chemistry, Physical

Accuracy of Quantum Mechanically Derived Force-Fields Parameterized from Dispersion-Corrected DFT Data: The Benzene Dimer as a Prototype for Aromatic Interactions

Giacomo Prampolini et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

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Article Chemistry, Physical

Theoretical Characterization of the Spectral Density of the Water-Soluble Chlorophyll-Binding Protein from Combined Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations

Andreana M. Rosnik et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

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Article Chemistry, Multidisciplinary

Effect of side chains on solubility and morphology of poly(benzodithiohene-alt-alkylbithiophene) in organic photovoltaics

Min Hee Choi et al.

JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY (2015)

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Article Chemistry, Multidisciplinary

Materials Meets Concepts in Molecule-Based Electronics

Frank Ortmann et al.

ADVANCED FUNCTIONAL MATERIALS (2015)

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Review Chemistry, Multidisciplinary

Predicting crystal structures of organic compounds

Sarah L. Price

CHEMICAL SOCIETY REVIEWS (2014)

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Article Chemistry, Multidisciplinary

An automated approach for the parameterization of accurate intermolecular force-fields: Pyridine as a case study

Ivo Cacelli et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

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Review Chemistry, Multidisciplinary

Charge transport in high mobility molecular semiconductors: classical models and new theories

Alessandro Troisi

CHEMICAL SOCIETY REVIEWS (2011)

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Article Physics, Condensed Matter

Charge transport in organic crystals: Theory and modelling

Frank Ortmann et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2011)

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Review Chemistry, Multidisciplinary

Computational methods for design of organic materials with high charge mobility

Linjun Wang et al.

CHEMICAL SOCIETY REVIEWS (2010)

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Article Chemistry, Physical

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

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Review Chemistry, Multidisciplinary

Modeling Charge Transport in Organic Photovoltaic Materials

Jenny Nelson et al.

ACCOUNTS OF CHEMICAL RESEARCH (2009)

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Article Chemistry, Physical

Parametrization and validation of intramolecular force fields derived from DFT calculations

Ivo Cacelli et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)

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Article Chemistry, Physical

Dynamics of the intermolecular transfer integral in crystalline organic semiconductors

A Troisi et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

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Article Physics, Multidisciplinary

Charge-transport regime of crystalline organic semiconductors: Diffusion limited by thermal off-diagonal electronic disorder

A Troisi et al.

PHYSICAL REVIEW LETTERS (2006)

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Article Chemistry, Multidisciplinary

Transport properties in the rubrene crystal:: Electronic coupling and vibrational reorganization energy

DA da Silva et al.

ADVANCED MATERIALS (2005)

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Article Physics, Applied

Effect of impurities on the mobility of single crystal pentacene

OD Jurchescu et al.

APPLIED PHYSICS LETTERS (2004)

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Article Chemistry, Physical

Predictions of hole mobilities in oligoacene organic semiconductors from quantum mechanical calculations

WQ Deng et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2004)

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Article Chemistry, Physical

The hole transfer in DNA: calculation of electron coupling between close bases

A Troisi et al.

CHEMICAL PHYSICS LETTERS (2001)

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