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The Journal of Chemical Physics|March 26, 2008
High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overviewMichael E Harding, Juana Vázquez, Branko Ruscic, et al.The Journal of Physical Chemistry. A|November 5, 2014
Selectivity in ROS-induced peptide backbone bond cleavageHannah M Stringfellow, Michael R Jones, Mandy C Green, et al.Journal of Computational Chemistry|May 21, 2011
Harmonic vibrational frequencies: scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis setsMarie L Laury, Scott E Boesch, Ian Haken, et al.The Journal of Physical Chemistry. A|April 14, 2017
Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li-XeGeorge Schoendorff, Aaron C West, Michael W Schmidt, et al.Journal of Chemical Theory and Computation|September 7, 2017
Comparative Study of Nonhybrid Density Functional Approximations for the Prediction of 3d Transition Metal ThermochemistryJohn J Determan, Katelyn Poole, Giovanni Scalmani, et al.The Journal of Physical Chemistry. A|June 4, 2009
Enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene: an experimental and computational re-evaluationYide Gao, Nathan J DeYonker, E Chauncey Garrett, et al.The Journal of Chemical Physics|July 15, 2022
Ab initio composite strategies and multireference approaches for lanthanide sulfides and selenidesNuno M S Almeida, Timothé R L Melin, Sasha C North, et al.The Journal of Chemical Physics|September 27, 2006
The correlation-consistent composite approach: application to the G3/99 test setNathan J DeYonker, Tom Grimes, Scott Yockel, et al.Chemical Research in Toxicology|April 27, 2026
New Docking, Molecular Dynamics, and QSAR Models to Predict Disruption of Human and Rat Transthyretin Function by Per- and Polyfluoroalkyl Substances (PFAS)Nuno M S Almeida, Heather M Bolstad, Scott Coffin, et al.ACS Chemical Biology|January 13, 2026
Defining the Mechanism of Action and Resistance of New Mycobacterium abscessus MmpL3 InhibitorsBassel J Abdalla, Matthew B Giletto, Nazli Goksel Carpa, et al.Pageof 14