Analysis of electron wavefunction is a key component of quantum chemistry investigations
and is indispensable for the practical research of many chemical problems. After more than …

A method of description of the chemical bonding combining the compactness and intuitive
simplicity of Lewis theory with the flexibility and generality of canonical molecular orbital …

Develo** a comprehensive method to compute bond orders is a problem that has eluded
chemists since Lewis's pioneering work on chemical bonding a century ago. Here, a …

Chemical bonding is at the very heart of chemistry. Although main-group-element E–E′
bond orders range up to triple bonds, higher formal bond orders are known between …

Electronic delocalization is invoked in many textbooks as the driving force of several
fundamental phenomena such as conjugation, hyperconjugation, and aromaticity. These …

The covalent chemical bond is intimately linked to electron sharing between atoms. The
recent independent gradient model (IGM) and its δ g descriptor provide a way to quantify …

The paper collects the answers of the authors to the following questions: Is the lack of
precision in the definition of many chemical concepts one of the reasons for the coexistence …

A concise summary is provided on the basic aspects of charge density (CD) analysis and an
overview of the charge density research and developments over the last 10 years. A glimpse …

Ab initio quantum chemistry is an independent source of information supplying an ever
widening group of experimental chemists. However, bridging the gap between these ab …

A novel approach to chemical bond analysis for excited states has been developed. Using
an extended adaptive natural density partitioning method (AdNDP) as implemented in …