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Journal of Chemical Theory and Computation|November 25, 2015
Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and ApplicationsAndrew Behn, Paul M Zimmerman, Alexis T Bell, et al.
Journal of the American Chemical Society|March 27, 2024
Chemical Bonding and the Role of Node-Induced Electron ConfinementAlistair J Sterling, Daniel S Levine, Abdulrahman Aldossary, et al.
Inorganic Chemistry|April 22, 2022
Deciphering Distinct Overpotential-Dependent Pathways for Electrochemical CO2 Reduction Catalyzed by an Iron-Terpyridine ComplexMatthias Loipersberger, Jeffrey S Derrick, Christopher J Chang, et al.
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.
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 Chemical Physics|November 6, 2024
Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applicationsYuanheng Wang, Diptarka Hait, K Grace Johnson, et al.
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