This review outlines problems and progress in development of solution‐processed organic
light‐emitting diodes (SOLEDs) in industry and academia. Solution processing has several …

This review describes a multidimensional treatment of molecular recognition phenomena
involving aromatic rings in chemical and biological systems. It summarizes new results …

Abstract Dieser Aufsatz beschreibt Phänomene der molekularen Erkennung von
aromatischen Ringen in chemischen und biologischen Systemen in einem …

A new density functional (DF) of the generalized gradient approximation (GGA) type for
general chemistry applications termed B97-D is proposed. It is based on Becke's power …

Although density functional theory is widely used in the computational chemistry community,
the most popular density functional, B3LYP, has some serious shortcomings:(i) it is better for …

Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …

Spin-component scaled double hybrids including dispersion correction were optimized for
many exchange and correlation functionals. Even DSD-LDA performs surprisingly well. DSD …

Following up on an earlier preliminary communication (Kozuch and Martin, Phys. Chem.
Chem. Phys. 2011, 13, 20104), we report here in detail on an extensive search for the most …

Standard density functional approximations cannot accurately describe interactions between
nonoverlap** densities. A simple remedy consists in correcting for the missing interactions …

The objective of this work is the further systematic improvement of the accuracy of Double-
Hybrid Density Functionals (DHDF) that add non-local electron correlation effects to a …