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Ozone is a commonly applied disinfectant and oxidantin drinkingwater and has more recently been implemented for enhanced municipalwastewater treatment for potable reuse and ecosystem protection. Onedrawback is the potential formation of bromate, a possible ...
We investigate a set of donor-pi-acceptor (D-pi-A) dyes with new acceptor groups for dye-sensitized solar cells, using time-dependent density-functional-theory calculations of the electronic structure and optical absorption. We considered three types of mo ...
We introduce a new quantum mechanics/mol. mechanics based method to drive electron transfer reactions. Our approach uses the dynamically restrained electrostatic potential derived charges of the quantum atoms as a reaction coordinate, and allows an estn. o ...
We report a full account of our work toward the total synthesis of pseudolaric acid B (1a), a diterpene acid isolated from the bark of Pseudolarix kaempferi Gordon (pinaceae). Compound 1a is an antifungal and antifertility agent. Furthermore, its capacity ...
This study presents calibrated vacuum ultraviolet spectroscopic measurements and filtered cyanogen violet band images for steel, cold graphite, and preheated graphite models at three reentry-relevant conditions in the X2 Expansion Tube. An analysis of thes ...
We present the results of temperature-dependent self-assembly of dicarbonitrile-pentaphenyl molecules (NC-Ph-5-CN) on Cu(111). Our low-temperature scanning tunneling microscopy study reveals the formation of metal-organic and purely organic structures, dep ...
