Collision Induced Dissociation of Deprotonated Isoxazole and 3-Methyl Isoxazole via Direct Chemical Dynamics Simulations | Journal of the American Society for Mass Spectrometry
Oxidative Rearrangements of Tricyclic Vinylcyclobutane Derivatives - Grota - 2006 - Chemistry – A European Journal - Wiley Online Library
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
Oxidative Rearrangements of Tricyclic Vinylcyclobutane Derivatives - Grota - 2006 - Chemistry – A European Journal - Wiley Online Library
PDF) The impact of the self-interaction error on the density functional theory description of dissociating radical cations: Ionic and covalent dissociation limits
PDF) Correct dissociation behavior of radical ions such as H2+ in density functional calculations
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
Energetic and electron density analysis of hydrogen dissociation of protonated benzene - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/B906961E
Adsorption and Dissociation of Molecular Hydrogen on Palladium Clusters Supported on Graphene | The Journal of Physical Chemistry C
Adsorption and Dissociation of Molecular Hydrogen on Palladium Clusters Supported on Graphene | The Journal of Physical Chemistry C
Improved DFT Potential Energy Surfaces via Improved Densities | The Journal of Physical Chemistry Letters
Energetic and electron density analysis of hydrogen dissociation of protonated benzene - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/B906961E
Adsorption and Dissociation of Molecular Hydrogen on Palladium Clusters Supported on Graphene | The Journal of Physical Chemistry C
Biomolecules | Free Full-Text | BabyBoom: 3-Dimensional Structure-Based Ligand and Protein Interaction Prediction by Molecular Docking
Faster Dissociation: Measured Rates and Computed Effects on Barriers in Aryl Halide Radical Anions | Journal of the American Chemical Society
Adsorption and Dissociation of Molecular Hydrogen on Palladium Clusters Supported on Graphene | The Journal of Physical Chemistry C
Hydrogen Dissociation Dynamics from Water Clusters on Triplet-State Energy Surfaces | The Journal of Physical Chemistry A
Hydrogen dissociation measurement puts theory at odds with experiment – Physics World
Investigation of adsorption, dissociation, and diffusion properties of hydrogen on the V (1 0 0) surface and in the bulk: A first-principles calculation - ScienceDirect
Adsorption and Dissociation of Molecular Hydrogen on Palladium Clusters Supported on Graphene | The Journal of Physical Chemistry C
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
