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The Journal of Chemical Physics|April 17, 2012
Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction pathsSean A Nedd, Nathan J DeYonker, Angela K Wilson, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 16, 2011
First-principle study of structure and stability of nickel carbidesJosh S Gibson, Jamal Uddin, Thomas R Cundari, et al.The Journal of Physical Chemistry. A|January 3, 2023
Multireference Wavefunction-Based Investigation of the Ground and Excited States of LrF and LrOSasha C North, Nuno M S Almeida, Timothé R L Melin, et al.The Journal of Physical Chemistry. A|September 22, 2025
Ground and Excited States of 3d and 4d Transition Metals: Computational Insight into Atomic PropertiesEbtisam M Z Telb, Nuno M S Almeida, Bradley K Welch, et al.The Journal of Physical Chemistry. A|May 16, 2007
Quantitative computational thermochemistry of transition metal speciesNathan J Deyonker, Kirk A Peterson, Gideon Steyl, et al.Journal of Chemical Information and Modeling|November 22, 2023
Binding of Per- and Polyfluoroalkyl Substances (PFAS) to the PPARγ/RXRα-DNA ComplexNuno M S Almeida, Semiha Kevser Bali, Deepak James, et al.The Journal of Physical Chemistry. A|December 8, 2005
Structures and thermochemistry of calcium-containing moleculesNaomi L Haworth, Michael B Sullivan, Angela K Wilson, et al.The Journal of Physical Chemistry. A|July 4, 2009
Performance of density functional theory for 3d transition metal-containing complexes: utilization of the correlation consistent basis setsSammer M Tekarli, Michael L Drummond, T Gavin Williams, et al.Environmental Science & Technology|August 29, 2024
Interaction of Per- and Polyfluoroalkyl Substances with Estrogen Receptors in Rainbow Trout (Oncorhynchus mykiss): An In Silico InvestigationSemiha Kevser Bali, Kyleen Hall, Rana I Massoud, et al.The Journal of Chemical Physics|July 17, 2009
Accurate thermochemistry for transition metal complexes from first-principles calculationsNathan J DeYonker, T Gavin Williams, Adam E Imel, et al.Pageof 14