Computer-Chemie-Centrum

Structure-Based Evolution of Subtype-Selective Neurotensin Receptor Ligands (2014) Schaab C, Kling R, Einsiedel J, Hübner H, Clark T, Seebach D, Gmeiner P Journal article, Original article Indentation and Self-Healing Mechanisms of a Self-Assembled Monolayer-A Combined Experimental and Modeling Study (2014) Meltzer C, Paul J, Dietrich H, Jäger C, Clark T, Zahn D, Braunschweig B, Peukert W Journal article Active-State Model of a Dopamine D2 Receptor - Gαi Complex Stabilized by Aripiprazole-Type Partial Agonists (2014) Kling R, Tschammer N, Lanig H, Clark T, Gmeiner P Journal article, Original article Optically active tetra-tert-butyl-P(5)-deltacyclene epimers: preparation, spectroscopy, dynamic equilibriums, H/D exchange, and transition-metal complex chemistry. (2014) Rohwer L, Höhn C, Autschbach J, Bauer W, Heinemann FW, Torrell SH, Keller I, et al. Journal article Nucleation Mechanisms of a Polymorphic Molecular Crystal: Solvent-Dependent Structural Evolution of Benzamide Aggregates (2014) Ectors P, Duchstein P, Zahn D Journal article Driving forces for the self-assembly of graphene oxide on organic monolayers (2014) Kirschner J, Wang Z, Eigler S, Steinrück HP, Jäger C, Clark T, Hirsch A, Halik M Journal article, Report Scalable self-assembled reduced graphene oxide transistors on flexible substrate (2014) Wang Z, Eigler S Journal article, Report Self-consistent field convergence for proteins: a comparison of full and localized-molecular-orbital schemes (2014) Wick C, Hennemann M, Stewart JJP, Clark T Journal article Role of Polarization in Halogen Bonds (2014) Clark T, Murray JS, Politzer P Journal article Reverse Spin-Crossover and High-Pressure Kinetics of the Heme Iron Center Relevant for the Operation of Heme Proteins under Deep-Sea Conditions (2014) Tröppner O, Lippert R, Shubina T, Zahl A, Jux N, Ivanovic-Burmazovic I Journal article, Original article