Computational Design, Synthesis, and Mechanochromic Properties of New Thiophene-Based π-Conjugated Chromophores

Toward Wearable Sensors: Fluorescent Attoreactor Mats as Optically Encoded Cross-Reactive Sensor Arrays

(2012) Pavel Anzenbacher et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Impact of Vibronic Couplings on Perceived Colors: Two Anthraquinones as a Working Example

(2012) Denis Jacquemin et al.   Journal of Physical Chemistry Letters

Prediction of Remarkable Ambipolar Charge-Transport Characteristics in Organic Mixed-Stack Charge-Transfer Crystals

(2012) Lingyun Zhu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanically induced chemiluminescence from polymers incorporating a 1,2-dioxetane unit in the main chain

(2012) Yulan Chen et al.   Nature Chemistry

Mild Pd/Cu-Catalyzed Sila-Sonogashira Coupling of (Hetero)aryl Bromides with (Hetero)arylethynylsilanes under PTC Conditions

(2012) Fabio Bellina et al.   SYNLETT

Brightly Tricolored Mechanochromic Luminescence from a Single-Luminophore Liquid Crystal: Reversible Writing and Erasing of Images

(2011) Yoshimitsu Sagara et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Preface to theChemistry of MaterialsSpecial Issue on π-Functional Materials

(2011) Jean-Luc Bredas et al.   CHEMISTRY OF MATERIALS

A computational approach to the electronic and optical properties of Ru(II) and Ir(III) polypyridyl complexes: Applications to DSC, OLED and NLO

(2011) Simona Fantacci et al.   COORDINATION CHEMISTRY REVIEWS

Mechanoresponsive Materials

(2011) Christoph Weder   JOURNAL OF MATERIALS CHEMISTRY

Mechanochromic polymer blends

(2011) Andrea Pucci et al.   JOURNAL OF MATERIALS CHEMISTRY

Noncovalent Interactions in the Gas Phase: The Anisole–Phenol Complex

(2011) Giangaetano Pietraperzia et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Computational Nanomaterials Modeling

(2011) George C. Schatz   Journal of Physical Chemistry Letters

Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations

(2011) Alfonso Pedone et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach

(2011) Francisco José Avila Ferrer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nanoparticle Superlattice Engineering with DNA

(2011) R. J. Macfarlane et al.   SCIENCE

Polymer composites with smart optical properties

(2011) Andrea Pucci et al.   Soft Matter

Practical computation of electronic excitation in solution: vertical excitation model

(2011) Aleksandr V. Marenich et al.   Chemical Science

Selected features of the polarizable continuum model for the representation of solvation

(2011) Jacopo Tomasi   Wiley Interdisciplinary Reviews-Computational Molecular Science

The COSMO and COSMO-RS solvation models

(2011) Andreas Klamt   Wiley Interdisciplinary Reviews-Computational Molecular Science

Electronic Properties of Disordered Organic Semiconductors via QM/MM Simulations

(2010) Seth Difley et al.   ACCOUNTS OF CHEMICAL RESEARCH

Synthesis of New Thiophene-Based π-Conjugated Organic Compounds and Polymer

(2010) Motoaki Usui et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Systematic Nanoengineering of Soft Matter Organic Electro-optic Materials†

(2010) Larry R. Dalton et al.   CHEMISTRY OF MATERIALS

Electronic Processes at Organic−Organic Interfaces: Insight from Modeling and Implications for Opto-electronic Devices†

(2010) David Beljonne et al.   CHEMISTRY OF MATERIALS

General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra

(2010) Julien Bloino et al.   Journal of Chemical Theory and Computation

Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems

(2009) Vincenzo Barone et al.   Journal of Chemical Theory and Computation

Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory

(2009) Benedetta Mennucci et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Force-induced activation of covalent bonds in mechanoresponsive polymeric materials

(2009) Douglas A. Davis et al.   NATURE

Mechanically induced luminescence changes in molecular assemblies

(2009) Yoshimitsu Sagara et al.   Nature Chemistry

Vesicular perylene dye nanocapsules as supramolecular fluorescent pH sensor systems

(2009) Xin Zhang et al.   Nature Chemistry

Single-Step Electron Transfer on the Nanometer Scale: Ultra-Fast Charge Shift in Strongly Coupled Zinc Porphyrin–Gold Porphyrin Dyads

(2008) Jérôme Fortage et al.   CHEMISTRY-A EUROPEAN JOURNAL

Modeling Self-Assembly Processes Driven by Nonbonded Interactions in Soft Materials†

(2008) Martin McCullagh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Atomistic Computer Simulation and Experimental Study on the Dynamics of then-Cyanobiphenyls Mesogenic Series

(2008) Mario Cifelli et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores

(2008) Filippo Donati et al.   JOURNAL OF PHYSICAL CHEMISTRY B