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Undergraduate graders are frequently important contributors to the teaching team in post-secondary education settings. This study set out to investigate agreement for a team of undergraduate graders as they acquired training and experience for scoring responses to open-ended tasks. These data include qualitative judgments of one instructor (Rater A) and four undergraduate graders (Raters E, F, G, H) applied to student responses to four open-ended prompts about elementary statistical reasoning. The team scored several sets of student responses across 5 sessions with increasingly detailed scoring rubrics. 

A comprehensive Scanning Tunneling Microscopy (STM)-driven ab initio investigation was conducted to explore the effects of peripheral substitution and central metalation on the molecular self-assembly of phthalocyanines on highly oriented pyrolytic graphite (HOPG). This study reports, for the first time, the self-assembly behavior of phthalocyanines with phenoxy and ethoxy substitutions and Co and Mg as central metals. Through periodic boundary simulations, we demonstrate that the peripheral substitutions significantly influence the energetic stability and monolayer structure, while central metal variations play a minor role. Our findings suggest that phthalocyanines with identical peripheral substitutions exhibit similar unit cell structures on Highly Oriented Pyrolytic Graphite (HOPG), regardless of the central metal. Furthermore, while substituent positional isomerism does not significantly impact the adsorption energy, the orientation of the peripheral substituents critically affects intermolecular interactions, influencing the stability of the monolayers. The study also reveals that octa-substituted phthalocyanines, such as H₂Pc(OPh)₈, form more stable, well-packed monolayers compared to tetra-substituted derivatives, like H₂Pc(OEt)₄, which exhibit phase segregation and disorder. Additionally, solvent molecules such as phenyl octane (PhOct) stabilize the disordered H₂Pc(OEt)₄monolayers by filling cavities between molecules. These results offer valuable insights into the design principles for engineering stable phthalocyanine monolayers, contributing to advancements in surface chemistry and materials science.