First-principle-based MD description of azobenzene molecular rods

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

(2012) Ivo Cacelli et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Toward optomechanics: Maximizing the photodeformation of individual molecules

(2011) David Bléger et al.   CHEMICAL COMMUNICATIONS

Opposite photo-induced deformations in azobenzene-containing polymers with different molecular architecture: Molecular dynamics study

(2011) Jaroslav M. Ilnytskyi et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular mechanics modeling of azobenzene-based photoswitches

(2011) Patrick Duchstein et al.   JOURNAL OF MOLECULAR MODELING

Photodynamics and Time-Resolved Fluorescence of Azobenzene in Solution: A Mixed Quantum-Classical Simulation

(2011) Teresa Cusati et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond

(2011) Marcus Böckmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct monitoring of opto-mechanical switching of self-assembled monolayer films containing the azobenzene group

(2011) Einat Tirosh et al.   Beilstein Journal of Nanotechnology

Molecular Dynamics Study of Naturally Occurring Defects in Self-Assembled Monolayer Formation

(2010) G. Gannon et al.   ACS Nano

Unraveling a Chemically Enhanced Photoswitch: Bridged Azobenzene

(2010) Marcus Böckmann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Photoswitching Vertically Oriented Azobenzene Self-Assembled Monolayers at the Solid-Liquid Interface

(2010) David Bléger et al.   CHEMISTRY-A EUROPEAN JOURNAL

How Does the Trans-Cis Photoisomerization of Azobenzene Take Place in Organic Solvents?

(2010) Giustiniano Tiberio et al.   CHEMPHYSCHEM

Structure and Excitonic Coupling in Self-Assembled Monolayers of Azobenzene-Functionalized Alkanethiols

(2010) Cornelius Gahl et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Switching of functionalized azobenzene suspended between gold tips by mechanochemical, photochemical, and opto-mechanical means

(2010) Robert Turanský et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Cis–trans isomerization mechanism of 4-aminoazobenzene in the S0 and S1 states: A CASSCF and DFT study

(2009) Luoxin Wang et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Light-Powered Electrical Switch Based on Cargo-Lifting Azobenzene Monolayers

(2008) Violetta Ferri et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The photoisomerization of a peptidic derivative of azobenzene: A nonadiabatic dynamics simulation of a supramolecular system

(2008) Cosimo Ciminelli et al.   CHEMICAL PHYSICS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Isomerization and electronic relaxation of azobenzene after being excited to higher electronic states

(2008) Luoxin Wang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING