CHIMIA

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CHIMIA, Vol. 68, Issue 09/2014

Prof. Dr. Clémence Corminboeuf, Prof. Dr. Markus Reiher

Table of Contents

Swiss Science Concentrates, 2014/09

Non-aqueous Capillary Electrophoresis for the Analysis of Pharmaceutical Acidic Compounds Using Negative ESI-MS

Mechanically Triggered Responses of Metallosupramolecular Polymers

Society News and Announcements

News, Conferences in Switzerland, Lectures

EuCheMS Newsletter, September 2014

Products, Services and News from Companies

Quantitative Atomistic Simulations of Reactive and Non-Reactive Processes

Chemical Reactions on Metal-supported Hexagonal Boron Nitride Investigated with Density Functional Theory

Quantum Mechanical Treatment of Variable Molecular Composition: From ‘Alchemical’ Changes of State Functions to Rational Compound Design

Non-uniform Continuum Model for Solvated Species Based on Frozen-Density Embedding Theory: The Study Case of Solvatochromism of Coumarin 153

Mechanisms of Ligand–Protein Interaction in Sec-14-like Transporters Investigated by Computer Simulations

Crossing the Boundaries within Computational Chemistry: From Molecular Dynamics to Cheminformatics and back

“Why and How it Works”: The Development of Hypervalent Iodine Reagents as an Illustration for the Collaboration of Chemical Synthesis with Modeling and Simulation

Predicting the Genes Regulated by MicroRNAs via Binding Sites in the 3' Untranslated and Coding Regions

Non-empirical Prediction of the Photophysical and Magnetic Properties of Systems with Open d- and f-Shells Based on Combined Ligand Field and Density Functional Theory (LFDFT)

Lessons from Nature: Computational Design of Biomimetic Compounds and Processes