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Stability, Metastability, and Unstability of Three-Electron-Bonded Radical  Anions. A Model ab Initio Theoretical Study | Journal of the American  Chemical Society
Stability, Metastability, and Unstability of Three-Electron-Bonded Radical Anions. A Model ab Initio Theoretical Study | Journal of the American Chemical Society

Kinetics and mechanism of the gasâ•'phase OH hydrogen abstraction reaction  from methionine: A quantum mechanical approach
Kinetics and mechanism of the gasâ•'phase OH hydrogen abstraction reaction from methionine: A quantum mechanical approach

Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The  Effect of Microsolvation - Osuna - 2009 - ChemPhysChem - Wiley Online  Library
Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The Effect of Microsolvation - Osuna - 2009 - ChemPhysChem - Wiley Online Library

Formation of the Charge‐Localized Dimer Radical Cation of  2‐Ethyl‐9,10‐dimethoxyanthracene in Solution Phase - Choi - 2019 -  Chemistry – A European Journal - Wiley Online Library
Formation of the Charge‐Localized Dimer Radical Cation of 2‐Ethyl‐9,10‐dimethoxyanthracene in Solution Phase - Choi - 2019 - Chemistry – A European Journal - Wiley Online Library

PDF) Hydrogen bonding between histidine and lignin model compounds or redox  mediators as calculated with the DFT method. Effects on the ease of  oxidationElectronic supplementary information (ESI) available: Fig. S1:  comparison of
PDF) Hydrogen bonding between histidine and lignin model compounds or redox mediators as calculated with the DFT method. Effects on the ease of oxidationElectronic supplementary information (ESI) available: Fig. S1: comparison of

Full article: Derivative discontinuities in density functional theory
Full article: Derivative discontinuities in density functional theory

PDF) Hydrogen: An Alternative Fuel
PDF) Hydrogen: An Alternative Fuel

Brønsted Acid-Promoted C–H Bond Cleavage via Electron Transfer from Toluene  Derivatives to a Protonated Nonheme Iron(IV)-Oxo Complex with No Kinetic  Isotope Effect | Journal of the American Chemical Society
Brønsted Acid-Promoted C–H Bond Cleavage via Electron Transfer from Toluene Derivatives to a Protonated Nonheme Iron(IV)-Oxo Complex with No Kinetic Isotope Effect | Journal of the American Chemical Society

Chemical potential, derivative discontinuity, fractional electrons, jump of  the Kohn–Sham potential, atoms as thermod
Chemical potential, derivative discontinuity, fractional electrons, jump of the Kohn–Sham potential, atoms as thermod

Comparison of the performance of exact-exchange-based density functional  methods: The Journal of Chemical Physics: Vol 137, No 11
Comparison of the performance of exact-exchange-based density functional methods: The Journal of Chemical Physics: Vol 137, No 11

Mechanism of Formation of Hydrogen Trioxide (HOOOH) in the Ozonation of  1,2-Diphenylhydrazine and 1,2-Dimethylhydrazine: An Experimental and  Theoretical Investigation | Journal of the American Chemical Society
Mechanism of Formation of Hydrogen Trioxide (HOOOH) in the Ozonation of 1,2-Diphenylhydrazine and 1,2-Dimethylhydrazine: An Experimental and Theoretical Investigation | Journal of the American Chemical Society

PDF) Correct dissociation behavior of radical ions such as H2+ in density  functional calculations
PDF) Correct dissociation behavior of radical ions such as H2+ in density functional calculations

A Novel Therapeutic Strategy for Cancer Using Phosphatidylserine Targeting  Stearylamine-Bearing Cationic Liposomes: Molecular Therapy - Nucleic Acids
A Novel Therapeutic Strategy for Cancer Using Phosphatidylserine Targeting Stearylamine-Bearing Cationic Liposomes: Molecular Therapy - Nucleic Acids

How well can density functional theory and pair-density functional theory  predict the correct atomic charges for dissociation an
How well can density functional theory and pair-density functional theory predict the correct atomic charges for dissociation an

Density functionals that are one- and two- are not always many-electron  self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+: The Journal  of Chemical Physics: Vol 126, No 10
Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+: The Journal of Chemical Physics: Vol 126, No 10

The C4H6•+ Potential Energy Surface. 1. The Ring-Opening Reaction of  Cyclobutene Radical Cation and Related Rearrangements | Journal of the  American Chemical Society
The C4H6•+ Potential Energy Surface. 1. The Ring-Opening Reaction of Cyclobutene Radical Cation and Related Rearrangements | Journal of the American Chemical Society

Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The  Effect of Microsolvation - Osuna - 2009 - ChemPhysChem - Wiley Online  Library
Homolytic versus Heterolytic Dissociation of Alkalimetal Halides: The Effect of Microsolvation - Osuna - 2009 - ChemPhysChem - Wiley Online Library

Piecewise linearity, freedom from self-interaction, and a Coulomb  asymptotic potential: three related yet inequivalent properties of the  exact density ... - Physical Chemistry Chemical Physics (RSC Publishing)  DOI:10.1039/D0CP02564J
Piecewise linearity, freedom from self-interaction, and a Coulomb asymptotic potential: three related yet inequivalent properties of the exact density ... - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D0CP02564J