Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological …
Benzene is the emblematic example of an aromatic molecule, and the problem of its
structure has given rise to a chemical serial story running over several decades. The …
structure has given rise to a chemical serial story running over several decades. The …
Charge-shift bonding and its manifestations in chemistry
Electron-pair bonding is a central chemical paradigm. Here, we show that alongside the two
classical covalent and ionic bond families, there exists a class of charge-shift (CS) bonds …
classical covalent and ionic bond families, there exists a class of charge-shift (CS) bonds …
High-efficiency sustainable energy driven alkaline/seawater electrolysis using a novel hetero-structured non-noble bimetal telluride nanorods
The development of non-noble, economical, and efficient electrocatalysts for water
electrolysis will be inevitable for the upcoming green hydrogen economy. In consideration of …
electrolysis will be inevitable for the upcoming green hydrogen economy. In consideration of …
Utilizing weakly-solvated diglyme-based electrolyte to achieve a 10,000-cycles durable Na3V2 (PO4) 2F3 cathode endured at− 20℃
YQ Zheng, MY Sun, FD Yu, L Deng, Y **a, YS Jiang… - Nano Energy, 2022 - Elsevier
The commercialization of sodium-ion batteries (SIBs) is tremendously limited as
performance decline in extreme environments (such as below 0℃). This work proposes …
performance decline in extreme environments (such as below 0℃). This work proposes …
An update on multiple bonding between heavier main group elements: the importance of Pauli repulsion, charge-shift character, and London dispersion force effects
PP Power - Organometallics, 2020 - ACS Publications
An update on some recent developments in the bonding of compounds with multiple bonds
between heavier main group elements is the major theme of this review. A brief historical …
between heavier main group elements is the major theme of this review. A brief historical …
Advances in the Chemistry of Astatine and Implications for the Development of Radiopharmaceuticals
Conspectus Astatine (At) is the rarest on Earth of all naturally occurring elements, situated
below iodine in the periodic table. While only short-lived isotopes (t 1/2≤ 8.1 h) are known …
below iodine in the periodic table. While only short-lived isotopes (t 1/2≤ 8.1 h) are known …
Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds
The visualization of covalent interactions has been a common practice in theoretical
chemistry thanks to the electron localization function (ELF). More recently, the reduced …
chemistry thanks to the electron localization function (ELF). More recently, the reduced …
Valence bond diagrams and chemical reactivity
A unified description of chemical reactivity is made possible with valence bond (VB)
diagrams, such as those shown for the a simple case (only reactants and products must be …
diagrams, such as those shown for the a simple case (only reactants and products must be …
Charge‐shift bonding—a class of electron‐pair bonds that emerges from valence bond theory and is supported by the electron localization function approach
This paper deals with a central paradigm of chemistry, the electron‐pair bond. Valence bond
(VB) theory and electron‐localization function (ELF) calculations of 21 single bonds …
(VB) theory and electron‐localization function (ELF) calculations of 21 single bonds …
Pancake bonds: π-Stacked dimers of organic and light-atom radicals
KE Preuss - Polyhedron, 2014 - Elsevier
The nature of the chemical bond is fundamental to the modern concept of chemistry. Species
that exhibit unusual interactions provide a valuable challenge to current theoretical models …
that exhibit unusual interactions provide a valuable challenge to current theoretical models …