The role of CH–π interaction in the charge transfer properties in tris(8-hydroxyquinolinato)aluminium(iii)

Electronic Properties of Disordered Organic Semiconductors via QM/MM Simulations

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

Single crystal ribbons and transistors of a solution processed sickle-like fused-ring thienoacene

(2010) Rongjin Li et al.   JOURNAL OF MATERIALS CHEMISTRY

Charge Transport in Organic Crystals: Role of Disorder and Topological Connectivity

(2010) Thorsten Vehoff et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polarizable Atomistic Calculation of Site Energy Disorder in Amorphous Alq3

(2009) Yuki Nagata   CHEMPHYSCHEM

Modeling Disorder in the Crystal Structure of the α Polymorph of Alq3

(2009) Manju Rajeswaran et al.   JOURNAL OF CHEMICAL CRYSTALLOGRAPHY

An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit Coupled-Cluster Potential Energy Curves for the Benzene Dimer, the Methane Dimer, Benzene−Methane, and Benzene−H2S†

(2009) C. David Sherrill et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Bis(isopropoxido-κO)bis(2-methylquinolin-8-olato-κ2N,O)titanium(IV)

(2008) Yousef Fazaeli et al.   ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

Investigation of the Benzene-Naphthalene and Naphthalene-Naphthalene Potential Energy Surfaces: DFT/CCSD(T) Correction Scheme

(2008) Miroslav Rubeš et al.   CHEMPHYSCHEM

Mercury CSD 2.0– new features for the visualization and investigation of crystal structures

(2008) Clare F. Macrae et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Atomistic simulation on charge mobility of amorphous tris(8-hydroxyquinoline) aluminum (Alq3): Origin of Poole–Frenkel–type behavior

(2008) Yuki Nagata et al.   JOURNAL OF CHEMICAL PHYSICS

Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme

(2008) Ota Bludský et al.   JOURNAL OF CHEMICAL PHYSICS

Hydroxynaphthyridine-Derived Group III Metal Chelates: Wide Band Gap and Deep Blue Analogues of Green Alq3(Tris(8-hydroxyquinolate)aluminum) and Their Versatile Applications for Organic Light-Emitting Diodes

(2008) Szu-Hung Liao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Simulating charge transport in tris(8-hydroxyquinoline) aluminium (Alq3)

(2008) J. J. Kwiatkowski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS