Computer-Chemie-Centrum (CCC)

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 Integrating metalloporphycenes into p-type NiO-based dye-sensitized solar cells (2014) Feihl S, Costa RD, Brenner W, Margraf J, Casillas Pacheco R, Langmar O, Browa A, et al. Journal article HCN exchange on [Cu(HCN)(4)](+): a quantum chemical investigation (2014) Alzoubi B, Weber I, Walther M, van Eikema Hommes N, Puchta R, van Eldik R Journal article Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors (2014) Leitherer S, Jäger C, Halik M, Clark T, Thoss M Journal article, Report EMPIRE: a highly parallel semiempirical molecular orbital program: 1: self-consistent field calculations (2014) Hennemann M, Clark T Journal article Carbon Nanodots: Toward a Comprehensive Understanding of Their Photoluminescence (2014) Strauß V, Margraf J, Dolle C, Butz B, Nacken T, Walter J, Bauer W, et al. Journal article