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PDF] Hydrogen Molecule Dissociation Curve with Functionals Based on the  Strictly Correlated Regime. | Semantic Scholar
PDF] Hydrogen Molecule Dissociation Curve with Functionals Based on the Strictly Correlated Regime. | Semantic Scholar

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

Hydrogen Dissociation Dynamics from Water Clusters on Triplet-State Energy  Surfaces | The Journal of Physical Chemistry A
Hydrogen Dissociation Dynamics from Water Clusters on Triplet-State Energy Surfaces | The Journal of Physical Chemistry A

Crystals | Free Full-Text | Nano- and Crystal Engineering Approaches in the  Development of Therapeutic Agents for Neoplastic Diseases | HTML
Crystals | Free Full-Text | Nano- and Crystal Engineering Approaches in the Development of Therapeutic Agents for Neoplastic Diseases | HTML

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

PDF) Density functionals that are one- and two- are not always  many-electron self-interaction-free, as shown for H-2(+), He-2(+), LiH+,  and Ne-2(+)
PDF) Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H-2(+), He-2(+), LiH+, and Ne-2(+)

Viruses | Free Full-Text | Complement Proteins as Soluble Pattern  Recognition Receptors for Pathogenic Viruses | HTML
Viruses | Free Full-Text | Complement Proteins as Soluble Pattern Recognition Receptors for Pathogenic Viruses | HTML

Faster Dissociation: Measured Rates and Computed Effects on Barriers in  Aryl Halide Radical Anions | Journal of the American Chemical Society
Faster Dissociation: Measured Rates and Computed Effects on Barriers in Aryl Halide Radical Anions | Journal of the American Chemical Society

Publications | Department of Physics
Publications | Department of Physics

Faster Dissociation: Measured Rates and Computed Effects on Barriers in  Aryl Halide Radical Anions | Journal of the American Chemical Society
Faster Dissociation: Measured Rates and Computed Effects on Barriers in Aryl Halide Radical Anions | Journal of the American Chemical Society

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

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

Probing the tautomerization of disilenes and disilabenzenes with their  isomeric silylenes: significant substituent, aromaticity and base effects -  Dalton Transactions (RSC Publishing) DOI:10.1039/D0DT03527K
Probing the tautomerization of disilenes and disilabenzenes with their isomeric silylenes: significant substituent, aromaticity and base effects - Dalton Transactions (RSC Publishing) DOI:10.1039/D0DT03527K

Cation−π Interaction: Its Role and Relevance in Chemistry, Biology, and  Material Science | Chemical Reviews
Cation−π Interaction: Its Role and Relevance in Chemistry, Biology, and Material Science | Chemical Reviews

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

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

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

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

PDF] Hydrogen Molecule Dissociation Curve with Functionals Based on the  Strictly Correlated Regime. | Semantic Scholar
PDF] Hydrogen Molecule Dissociation Curve with Functionals Based on the Strictly Correlated Regime. | Semantic Scholar

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

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

PDF] Hydrogen Molecule Dissociation Curve with Functionals Based on the  Strictly Correlated Regime. | Semantic Scholar
PDF] Hydrogen Molecule Dissociation Curve with Functionals Based on the Strictly Correlated Regime. | Semantic Scholar

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