Predicting Trigger Bonds in Explosive Materials through Wiberg Bond Index Analysis von Harper, Lenora K., Shoaf, Ashley L., Bayse, Craig A.

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Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism von Atolagbe, Peter O, Taylor, Krista N, Wood, Samantha E, Rheingold, Arnold L, Harper, Lenora K, Bayse, Craig A, Brunker, Tim J

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Modeling the chelation of As(III) in lewisite by dithiols using density functional theory and solvent-assisted proton exchange von Harper, Lenora K., Bayse, Craig A.

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Thiol Reduction of Arsenite and Selenite: DFT Modeling of the Pathways to an As–Se Bond von Harper, Lenora K, Antony, Sonia, Bayse, Craig A

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Theoretical insights into the effect of amine and phosphine decoration on the photoluminescence of copper(i) and silver(i) coordination polymers von Bayse, Craig A, Harper, Lenora K, Ming, Jasprina L, Pike, Robert D

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