Aggregation induced blue-shifted emission – the molecular picture from a QM/MM study

Synergy between Twisted Conformation and Effective Intermolecular Interactions: Strategy for Efficient Mechanochromic Luminogens with High Contrast

(2013) Wang Zhang Yuan et al.   ADVANCED MATERIALS

Absorption and Emission Spectra of a Flexible Dye in Solution: A Computational Time-Dependent Approach

(2013) Nicola De Mitri et al.   Journal of Chemical Theory and Computation

Efficient Methods for the Quantum Chemical Treatment of Protein Structures: The Effects of London-Dispersion and Basis-Set Incompleteness on Peptide and Water-Cluster Geometries

(2013) Lars Goerigk et al.   Journal of Chemical Theory and Computation

Effects of Substitution with Donor–Acceptor Groups on the Properties of Tetraphenylethene Trimer: Aggregation-Induced Emission, Solvatochromism, and Mechanochromism

(2013) Xiao Yuan Shen et al.   Journal of Physical Chemistry C

Highly Emissive H-Aggregates or Aggregation-Induced Emission Quenching? The Photophysics of All-Trans para-Distyrylbenzene

(2013) Johannes Gierschner et al.   Journal of Physical Chemistry Letters

Theoretical study of the low-lying electronic excited states for molecular aggregates

(2013) ZhiGang Shuai et al.   Science China-Chemistry

Luminescent distyrylbenzenes: tailoring molecular structure and crystalline morphology

(2013) Johannes Gierschner et al.   Journal of Materials Chemistry C

Piezochromic Luminescence Based on the Molecular Aggregation of 9,10-Bis((E)-2-(pyrid-2-yl)vinyl)anthracene

(2012) Yujie Dong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical Insight into the Origin of Large Stokes Shift and Photophysical Properties of Anilido-Pyridine Boron Difluoride Dyes

(2012) Jun-Ling Jin et al.   CHEMPHYSCHEM

Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene

(2012) Yujie Dong et al.   CRYSTENGCOMM

TD-DFT Assessment of Functionals for Optical 0–0 Transitions in Solvated Dyes

(2012) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Quantum chemical insights into the aggregation induced emission phenomena: A QM/MM study for pyrazine derivatives

(2012) Qunyan Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Theoretical Insights into the Aggregation-Induced Emission by Hydrogen Bonding: A QM/MM Study

(2012) Qunyan Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Aggregation-induced emission

(2011) Yuning Hong et al.   CHEMICAL SOCIETY REVIEWS

Excited-state switching by per-fluorination of para-oligophenylenes

(2011) Begoña Milián-Medina et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical study of radiative and non-radiative decay processes in pyrazine derivatives

(2011) Chunmei Deng et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Quantum Chemistry Study on Internal Conversion of Diphenyldibenzofulvene in Solid Phase

(2011) Ming-Chung Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Carbazole-Based Cyano-Stilbene Highly Fluorescent Microcrystals

(2011) Karasinghe A. N. Upamali et al.   LANGMUIR

Tuning interchain and intrachain interactions in polyfluorene copolymers

(2011) Ya-Shih Huang et al.   PHYSICAL REVIEW B

Changing the Behavior of Chromophores from Aggregation-Caused Quenching to Aggregation-Induced Emission: Development of Highly Efficient Light Emitters in the Solid State

(2010) Wang Zhang Yuan et al.   ADVANCED MATERIALS

Absorption and emission spectra of 1,8-naphthalimide fluorophores: A PCM-TD-DFT investigation

(2010) Denis Jacquemin et al.   CHEMICAL PHYSICS

Introduction: Materials for Electronics

(2010) Robert D. Miller et al.   CHEMICAL REVIEWS

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

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Materials and Mechanics for Stretchable Electronics

(2010) J. A. Rogers et al.   SCIENCE

Pyrazine luminogens with “free” and “locked” phenyl rings: Understanding of restriction of intramolecular rotation as a cause for aggregation-induced emission

(2009) Anjun Qin et al.   APPLIED PHYSICS LETTERS

Aggregation-induced emission: phenomenon, mechanism and applications

(2009) Yuning Hong et al.   CHEMICAL COMMUNICATIONS

A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states

(2009) Mary A. Rohrdanz et al.   JOURNAL OF CHEMICAL PHYSICS

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

(2009) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Twisted Intramolecular Charge Transfer and Aggregation-Induced Emission of BODIPY Derivatives

(2009) Rongrong Hu et al.   Journal of Physical Chemistry C

Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion

(2009) Jiating He et al.   Journal of Physical Chemistry C

Accurate Simulation of Optical Properties in Dyes

(2008) Denis Jacquemin et al.   ACCOUNTS OF CHEMICAL RESEARCH