Computer-Chemie-Centrum (CCC)

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 Predicting the Sites and Energies of Noncovalent Intermolecular Interactions Using Local Properties (2012) El Kerdawy A, Wick C, Hennemann M, Clark T Journal article σ-Holes, π-Holes and Electrostatically-Driven Interactions (2012) Murray JS, Lane P, Clark T, Riley KE, Politzer P Journal article Mimicking the Growth of a Pathologic Biomineral: Shape Development and Structures of Calcium Oxalate Dihydrate in the Presence of Polyacrylic Acid (2012) Thomas A, Rosseeva E, Hochrein O, Carrillo-Cabrera W, Simon P, Duchstein P, Zahn D, Kniep R Journal article Polarization-induced \textgreeks-holes and hydrogen bonding (2012) Hennemann M, Murray JS, Politzer P, Riley KE, Clark T Journal article Formation of a protective layer during IEC(b) test of epoxy resin loaded with silica nanoparticles (2012) Meichsner C, Clark T, Groeppel P, Winter B, Butz B, Spiecker E Journal article