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open access

High-pressure low-symmetry phases of cesium halides

Description: In this article, the relative stability of different high-pressure phases of various cesium halides is studied from first principles and analyzed using the Landau theory of phase transitions.
Date: April 1, 1995
Creator: Buongiorno Nardelli, Marco; Baroni, Stefano & Giannozzi, Paolo
open access

Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand

Description: In this study, we describe reaction chemistry of the first nickel(II) complexes having a terminally bound imido ligand, (dtbpe)Ni=NR (R = 2,6-ⁱPr₂C₆H₃, 2,3,6-Me₃C₆H₂ (Mes), and Ad) with various small unsaturated molecules.
Date: December 1, 2014
Creator: Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R., 1964- & Hillhouse, Gregory L.
open access

Ion exchanger in the brain: Quantitative analysis of perineuronally fixed anionic binding sites suggests diffusion barriers with ion sorting properties

Description: This article proposes that fixed charge-densities in the brain are involved in regulating ion mobility, the volume fraction of extracellular space and the viscosity of matrix components.
Date: December 1, 2015
Creator: Morawski, Markus; Reinert, Tilo; Meyer-Klaucke, Wolfram; Wagner, Friedrich E.; Tröger, Wolfgang; Reinert, Anja et al.
open access

The Riemann hypothesis illuminated by the Newton flow of ζ

Description: This article analyzes the Newton flow of the Riemann zeta function and rederives in an elementary way the Riemann-von Mangoldt estimate of the number of non-trivial zeros below a given imaginary part.
Date: October 1, 2015
Creator: Neuberger, J. W.; Feiler, C.; Maier, H. & Schleich, W. P.
open access

Spectrochemical Investigation of Preferential Solvation. 2. Compatibility of Thermodynamic Models versus Spectrofluorometric Probe Methods for Tautomeric Solutes Dissolved in Binary Mixtures

Description: Article discussing spectrochemical investigations of preferential solvation and the compatibility of thermodynamic models versus spectrofluorometric probe methods for tautomeric solutes dissolved in binary mixtures.
Date: March 1, 1994
Creator: Acree, William E. (William Eugene); Wilkins, Denise C.; Tucker, Sheryl A. (Sheryl Ann); Griffin, Jason M. & Powell, Joyce R.
open access

Transition Metal Imido Complexes

Description: Article discussing a wide range of transition metal imido (TMI) complexes using ab initio molecular orbital (MO) calculations.
Date: September 1, 1992
Creator: Cundari, Thomas R., 1964-
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