The Lewis electron-pair bonding model: the physical background, one century later

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

(2017) Narbe Mardirossian et al.   MOLECULAR PHYSICS

A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions

(2017) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

About Lewis’s heritage: chemical interpretations and quantum chemistry

(2017) Bernard Silvi   THEORETICAL CHEMISTRY ACCOUNTS

Perspective: Kohn-Sham density functional theory descending a staircase

(2016) Haoyu S. Yu et al.   JOURNAL OF CHEMICAL PHYSICS

How Much Can Density Functional Approximations (DFA) Fail? The Extreme Case of the FeO4 Species

(2016) Wei Huang et al.   Journal of Chemical Theory and Computation

DFT: A Theory Full of Holes?

(2015) Aurora Pribram-Jones et al.   Annual Review of Physical Chemistry

Density functional theory: Its origins, rise to prominence, and future

(2015) R. O. Jones   REVIEWS OF MODERN PHYSICS

Dative or Not Dative?

(2014) Daniel Himmel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dative Bonds in Main-Group Compounds: A Case for More Arrows!

(2014) Gernot Frenking   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Gedanken densities and exact constraints in density functional theory

(2014) John P. Perdew et al.   JOURNAL OF CHEMICAL PHYSICS

Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion

(2014) Michael W. Schmidt et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Fifty years of density-functional theory in chemical physics

(2014) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Description of Polar Chemical Bonds from the Quantum Mechanical Interference Perspective

(2014) Felipe Fantuzzi et al.   Journal of Chemical Theory and Computation

Physical Meaning of Virtual Kohn–Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations

(2014) R. van Meer et al.   Journal of Chemical Theory and Computation

Density functional theory: Foundations reviewed

(2014) Eugene S. Kryachko et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

100th Anniversary of Bohr’s Model of the Atom

(2013) W. H. Eugen Schwarz   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dative Bonds in Main-Group Compounds: A Case for Fewer Arrows!

(2013) Daniel Himmel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies

(2013) E. J. Baerends et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Toward a physical understanding of electron-sharing two-center bonds. II. Pseudo-potential based analysis of diatomic molecules

(2010) T. Bitter et al.   THEORETICAL CHEMISTRY ACCOUNTS

Chemical Bonding in the N2Molecule and the Role of the Quantum Mechanical Interference Effect†

(2009) Thiago Messias Cardozo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Charge-shift bonding and its manifestations in chemistry

(2009) Sason Shaik et al.   Nature Chemistry

A quantum chemical dialogue mediated by textbooks: Pauling's The nature of the chemical bond and Coulson's Valence

(2008) A. Simoes   Notes and Records-The Royal Society Journal of the History of Science

”Developing paradigms of chemical bonding: adaptive natural density partitioning

(2008) Dmitry Yu. Zubarev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS