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The Journal of Physical Chemistry. A|December 8, 2005
Characterizing the dimerizations of phenalenyl radicals by ab initio calculations and spectroscopy: sigma-bond formation versus resonance pi-stabilizationDavid Small, Sergiy V Rosokha, Jay K Kochi, et al.Journal of the American Chemical Society|March 24, 2005
Viscosity of the aqueous liquid/vapor interfacial region: 2D electrochemical measurements with a piperidine nitroxy radical probeDeng Guo Wu, Andrew D Malec, Martin Head-Gordon, et al.The Journal of Physical Chemistry. A|October 7, 2014
Formation and stability of C₆H₃⁺ isomersRoberto Peverati, Partha P Bera, Timothy J Lee, et al.The Journal of Chemical Physics|July 9, 2021
Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuitionJames Shee, Matthias Loipersberger, Diptarka Hait, et al.Chemical Science|August 30, 2018
Ab initio molecular dynamics simulations of liquid water using high quality meta-GGA functionalsLuis Ruiz Pestana, Narbe Mardirossian, Martin Head-Gordon, et al.The Journal of Physical Chemistry Letters|October 15, 2024
Smooth Dispersion Is Physically Appropriate: Assessing and Amending the D4 Dispersion ModelNikolay V Tkachenko, Linus Bjarne Dittmer, Rebecca Tomann, et al.The Journal of Chemical Physics|October 23, 2017
Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlationSusi Lehtola, Norm M Tubman, K Birgitta Whaley, et al.The Journal of Physical Chemistry Letters|April 12, 2022
Relativistic Orbital-Optimized Density Functional Theory for Accurate Core-Level SpectroscopyLeonardo A Cunha, Diptarka Hait, Richard Kang, et al.The Journal of Physical Chemistry. A|March 7, 2022
A Computational and Experimental View of Hydrogen Bonding in Glycerol Water ClustersWenchao Lu, Cameron J Mackie, Bo Xu, et al.The Journal of Physical Chemistry Letters|March 15, 2022
Oxygen Isotope Exchange between Carbon Dioxide and Iron Oxides on Mars' SurfaceSándor Góbi, Zhou Lin, Cheng Zhu, et al.Pageof 45