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The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule

Description: This article describes reference quality conformational energies for the 52 unique conformers of melatonin by means of explicitly correlated ab initio methods as well as the ccCA composite method.
Date: December 21, 2012
Creator: Fogueri, Uma R.; Kozuch, Sebastian; Karton, Amir & Martin, Jan M.L.

Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe₃(CO)₇(μ-edt)₂] and Phosphine Derivatives [Fe₃(CO)₇−ₓ(PPh₃)ₓ(μ-edt)₂] (x = 1, 2) and [Fe₃(CO)₅(κ²‑diphosphine)(μ- edt)₂] as Proton Reduction Catalysts

Description: This article describes the preparation and structural characterization of the mixed-valence triiron complexes.
Date: July 15, 2013
Creator: Rahaman, Ahibur; Ghosh, Shishir; Unwin, David G.; Basak-Modi, Sucharita; Holt, Katherine B.; Kabir, Shariff E. et al.

Influence of Bath Composition at Acidic pH on Electrodeposition of Nickel-Layered Silicate Nanocomposites for Corrosion Protection

Description: This article describes how nickel-layered silicate nanocomposite films were electrochemically deposited using pulsed potentiostatic conditions from an acidic plating bath containing exfoliated layered silicate to enhance adhesion to the substrate, corrosion resistance, and mechanical properties.
Date: September 25, 2013
Creator: Tientong, Jeerapan; Thurber, Casey; D'Souza, Nandika; Mohamed, Adel M. A. & Golden, Teresa