Computer-Chemie-Centrum

Molecular Dynamics Simulations of Liquid Phase Interfaces: Understanding the Structure of the Glycerol/Water–Dodecane System (2013) Beierlein F, Krause A, Jäger C, Fita P, Vauthey E, Clark T Journal article sigma-Holes (2013) Clark T Journal article An unsymmetrical pentacene derivative with ambipolar behavior in organic thin-film transistors (2013) Tykwinski R, Etschel S, Halik M, Jäger C, Clark T, Margraf J, Waterloo A, et al. Journal article, Original article Improving the Charge Transport in Self-Assembled Monolayer Field-Effect Transistors: From Theory to Devices (2013) Jäger C, Schmaltz T, Novak M, Khassanov A, Vorobiev A, Hennemann M, Krause A, et al. Journal article, Original article Precise control of intramolecular charge-transport: The interplay of distance and conformational effects (2013) Schubert C, Wielopolski M, Mewes LH, De Miguel Rojas G, Van Der Pol C, Moss KC, Bryce M, et al. Journal article, Original article Doped polycyclic aromatic hydrocarbons as building blocks for nanoelectronics: a theoretical study (2013) Dral P, Kivala M, Clark T Journal article Simulating ’Soft’ Electronic Devices (2013) Clark T, Halik M, Hennemann M, Jäger C Other publication type Phosphonate- and Carboxylate-Based Self-Assembled Monolayers for Organic Devices: A Theoretical Study of Surface Binding on Aluminum Oxide with Experimental Support (2013) Bauer T, Schmaltz T, Lenz T, Halik M, Meyer B, Clark T Journal article, Report Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity (2012) Shubina T, Freund M, Schenker S, Clark T, Tsogoeva S Journal article 3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions (2012) Güssregen S, Matter H, Hessler G, Müller M, Schmidt F, Clark T Journal article