A density functional study of the high-pressure chemistry of MSiN <sub/>2</sub> (M = Be, Mg, Ca): prediction of high-pressure phases and examination of pressure-induced decompositionRebecca Römer, S; Kroll, Peter; Schnick, Wolfgang · Journal of Physics: Condensed Matter · 2009

Cover Picture: Towards a Quantitative Understanding of Protein Hydration and Volumetric Properties / Intrinsic Volumetric Properties of Trialanine Isomers in Aqueous Solution / Temperature and Concentration Effects on the Solvophobic Solvation of Methane in Aqueous Salt Solutions / Salt Effects on the Structure of Water Probed by Attenuated Total Reflection Infrared Spectroscopy and Molecular Dynamics Simulations / Thermodynamic and Structural Characterization of the Transformation from a Metastable Low-Density to a Very High-Density Form of Supercooled TIP4P-Ew Model Water / The Solvent-Dependent Shift of the Amide I Band of a Fully Solvated Peptide as a Local Probe for the Solvent Composition in the Peptide/Solvent Interface / Multiple Phases of Liquid Water / Which Properties of a Spanning Network of Hydration Water Enable Biological Functions? / Effect of Osmolytes on Pressure-Induced Unfolding of Proteins: A High-Pressure SAXS Study / Spectral Signatures of the Pentagonal Water Cluster in Bacteriorhodopsin / Potential Proton-Release Channels in Bacteriorhodopsin / Conformational Dynamics of Minimal Elastin-Like Polypeptides: The Role of Proline Revealed by Molecular Dynamics and Nuclear Magnetic Resonance / Small-Angle X-Ray Scattering and Near-Infrared Vibrational Spectroscopy of Water Confined in Aerosol-OT Reverse Micelles / Hydration Dynamics of Water near an Amphiphilic Model Peptide at Low Hydration Levels: A Dielectric Relaxation Study (ChemPhysChem 18/2008)Lally Mitra; Jean-Baptiste Rouget; Bertrand Garcia-Moreno; Catherine A. Royer; Roland Winter; Alla Oleinikova; Roland Winter; Jörg Holzmann; Ralf Ludwig; Alfons Geiger; Dietmar Paschek; Julian Riemenschneider; Andreas Rüppert; Matthias Pühse; Arnold Perez-Goicochea; S. Gnanakaran; Angel E. García; Ivan Brovchenko; Alla Oleinikova; Christina Krywka; Christian Sternemann; Michael Paulus; Metin Tolan; Catherine Royer; Marcel Baer; Gerald Mathias; I-Feng W. Kuo; Douglas J. Tobias; Christopher J. Mundy; Dominik Marx; Alain Chaumont; Gerald Mathias; Dominik Marx; Rachel Glaves; Eduard Schreiner; Raphael Stoll; Sangeetha Balakrishnan; Nadeem Javid; Hermann Weingärtner; Padmanabhan Sasisanker · 2008