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General rule for the energy of water-induced traps in organic semiconductors

Nature materials, 2019-06, Vol.18 (6), p.588-593

2019

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π-Extended perylene diimide double-heterohelicenes as ambipolar organic semiconductors for broadband circularly polarized light detection

Nature communications, 2021-01, Vol.12 (1), p.142-142, Article 142

2021

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A novel supra coarse-grained model for cellulose

Cellulose (London), 2020-05, Vol.27 (8), p.4221-4234

2020

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Vibronic coherence contributes to photocurrent generation in organic semiconductor heterojunction diodes

Nature communications, 2020-01, Vol.11 (1), p.617-617, Article 617

2020

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Elucidating DNA binding of dithienylethenes from molecular dynamics and dichroism spectra

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (7), p.3637-3643

2019

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A Palette of Fluorescent Thiophene-Based Ligands for the Identification of Protein Aggregates

Chemistry : a European journal, 2015-10, Vol.21 (43), p.15133-15137

2015

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Electronic Structure and Geminate Pair Energetics at Organic-Organic Interfaces: The Case of Pentacene/C60 Heterojunctions

Advanced functional materials, 2009-12, Vol.19 (23), p.3809-3814

2009

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Moisture uptake in nanocellulose: the effects of relative humidity, temperature and degree of crystallinity

Cellulose (London), 2021-09, Vol.28 (14), p.9007-9021

2021

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Transition fields in organic materials: from percolation to inverted Marcus regime. A consistent Monte Carlo simulation in disordered PPV

The Journal of chemical physics, 2015-03, Vol.142 (9), p.094503-094503

2015

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A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif

Nature communications, 2016-09, Vol.7 (1), p.12657-11, Article 12657

2016

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Suppressing depolarization by tail substitution in an organic supramolecular ferroelectric

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (4), p.2069-2079

2019

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Enantioselective Complexation of Chiral Propylene Oxide by an Enantiopure Water-Soluble Cryptophane

Journal of organic chemistry, 2011-05, Vol.76 (10), p.4178-4181

2011

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Nanoscale Organization of a Platinum(II) Acetylide Cholesteric Liquid Crystal Molecular Glass for Photonics Applications

Advanced functional materials, 2020-07, Vol.30 (28), p.1910562-n/a

2020

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DNA Electronic Circular Dichroism on the Inter-Base Pair Scale: An Experimental–Theoretical Case Study of the AT Homo-Oligonucleotide

The journal of physical chemistry letters, 2015-02, Vol.6 (3), p.355-359

2015

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On the Interface Dipole at the Pentacene−Fullerene Heterojunction: A Theoretical Study

Journal of physical chemistry. C, 2010-02, Vol.114 (7), p.3215-3224

2010

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Conformational Plasticity of Hydrogen Bonded Bis-urea Supramolecular Polymers

The journal of physical chemistry. B, 2013-05, Vol.117 (17), p.5379-5386

2013

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Chirality in Dynamic Supramolecular Nanotubes Induced by a Chiral Solvent

Chemistry : a European journal, 2010-01, Vol.16 (1), p.173-177

2010

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On the Influence of Water on the Electronic Structure of Firefly Oxyluciferin Anions from Absorption Spectroscopy of Bare and Monohydrated Ions in Vacuo

Journal of the American Chemical Society, 2013-05, Vol.135 (17), p.6485-6493

2013

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Structure and Dynamics of a Bisurea-Based Supramolecular Polymer in n-Dodecane

The journal of physical chemistry. B, 2008-07, Vol.112 (29), p.8459-8465

2008

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Molecular dynamics effects on luminescence properties of oligothiophene derivatives: a molecular mechanics-response theory study based on the CHARMM force field and density functional theory

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (39), p.17532-17542

2011

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Theoretical Rationalization of Self-Assembly of Cellulose Nanocrystals: Effect of Surface Modifications and Counterions

Biomacromolecules, 2020-08, Vol.21 (8), p.3069-3080

2020

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Large Synthetic Molecule that either Folds or Aggregates through Weak Supramolecular Interactions Determined by Solvent

ACS omega, 2019-06, Vol.4 (6), p.10108-10120

2019

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Tyrosine Side‐Chain Functionalities at Distinct Positions Determine the Chirooptical Properties and Supramolecular Structures of Pentameric Oligothiophenes

ChemistryOpen (Weinheim), 2020-11, Vol.9 (11), p.1100-1108

2020

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Study of the cold charge transfer state separation at the TQ1/PC71BM interface

Journal of computational chemistry, 2017-05, Vol.38 (14), p.1039-1048

2017

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Quantum Mechanics/Molecular Mechanics Density Functional Theory Simulations of the Optical Properties Fingerprinting the Ligand-Binding of Pentameric Formyl Thiophene Acetic Acid in Amyloid-β(1–42)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-02, Vol.124 (5), p.875-888

2020

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General rule for the energy of water-induced traps in organic semiconductors

π-Extended perylene diimide double-heterohelicenes as ambipolar organic semiconductors for broadband circularly polarized light detection

A novel supra coarse-grained model for cellulose

Vibronic coherence contributes to photocurrent generation in organic semiconductor heterojunction diodes

Elucidating DNA binding of dithienylethenes from molecular dynamics and dichroism spectra

A Palette of Fluorescent Thiophene-Based Ligands for the Identification of Protein Aggregates

Electronic Structure and Geminate Pair Energetics at Organic-Organic Interfaces: The Case of Pentacene/C60 Heterojunctions

Moisture uptake in nanocellulose: the effects of relative humidity, temperature and degree of crystallinity

Transition fields in organic materials: from percolation to inverted Marcus regime. A consistent Monte Carlo simulation in disordered PPV

A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif

Suppressing depolarization by tail substitution in an organic supramolecular ferroelectric

Enantioselective Complexation of Chiral Propylene Oxide by an Enantiopure Water-Soluble Cryptophane

Nanoscale Organization of a Platinum(II) Acetylide Cholesteric Liquid Crystal Molecular Glass for Photonics Applications

DNA Electronic Circular Dichroism on the Inter-Base Pair Scale: An Experimental–Theoretical Case Study of the AT Homo-Oligonucleotide

On the Interface Dipole at the Pentacene−Fullerene Heterojunction: A Theoretical Study

Conformational Plasticity of Hydrogen Bonded Bis-urea Supramolecular Polymers

Chirality in Dynamic Supramolecular Nanotubes Induced by a Chiral Solvent

On the Influence of Water on the Electronic Structure of Firefly Oxyluciferin Anions from Absorption Spectroscopy of Bare and Monohydrated Ions in Vacuo

Structure and Dynamics of a Bisurea-Based Supramolecular Polymer in n-Dodecane

Molecular dynamics effects on luminescence properties of oligothiophene derivatives: a molecular mechanics-response theory study based on the CHARMM force field and density functional theory

Theoretical Rationalization of Self-Assembly of Cellulose Nanocrystals: Effect of Surface Modifications and Counterions

Large Synthetic Molecule that either Folds or Aggregates through Weak Supramolecular Interactions Determined by Solvent

Tyrosine Side‐Chain Functionalities at Distinct Positions Determine the Chirooptical Properties and Supramolecular Structures of Pentameric Oligothiophenes

Study of the cold charge transfer state separation at the TQ1/PC71BM interface

Quantum Mechanics/Molecular Mechanics Density Functional Theory Simulations of the Optical Properties Fingerprinting the Ligand-Binding of Pentameric Formyl Thiophene Acetic Acid in Amyloid-β(1–42)

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