Energetic and electron density analysis of hydrogen dissociation of protonated benzenew
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A Chemist's Guide to Density Functional Theory - Institute for ...
Stable Surfaces That Bind Too Tightly: Can Range-Separated Hybrids or DFT+U Improve Paradoxical Descriptions of Surface Chemistry? - Abstract - Europe PMC
Describing static correlation in bond dissociation by Kohn–Sham density functional theory: The Journal of Chemical Physics: Vol 122, No 9
How well can density functional theory and pair-density functional theory predict the correct atomic charges for dissociation an
Adsorption and Dissociation of Molecular Hydrogen on Palladium Clusters Supported on Graphene | The Journal of Physical Chemistry C
Collision Induced Dissociation of Deprotonated Isoxazole and 3-Methyl Isoxazole via Direct Chemical Dynamics Simulations | Journal of the American Society for Mass Spectrometry
Hydrogen dissociation measurement puts theory at odds with experiment – Physics World
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PDF) Spin-component-scaled and dispersion-corrected second-order Møller-Plesset perturbation theory: A path toward chemical accuracy
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
Energetic and electron density analysis of hydrogen dissociation of protonated benzene - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/B906961E
Faster Dissociation: Measured Rates and Computed Effects on Barriers in Aryl Halide Radical Anions | Journal of the American Chemical Society
PDF) Correct dissociation behavior of radical ions such as H2+ in density functional calculations
Adsorption and Dissociation of Molecular Hydrogen on Palladium Clusters Supported on Graphene | The Journal of Physical Chemistry C
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
PDF) Correct dissociation behavior of radical ions such as H2+ in density functional calculations
Adsorption and Dissociation of Molecular Hydrogen on Palladium Clusters Supported on Graphene | The Journal of Physical Chemistry C
Collision Induced Dissociation of Deprotonated Isoxazole and 3-Methyl Isoxazole via Direct Chemical Dynamics Simulations | Journal of the American Society for Mass Spectrometry
