Zeitschriftenartikel (157)

2008
Zeitschriftenartikel
Fabiano, E.; Keal, T. W.; Thiel, W. Implementation of surface hopping molecular dynamics using semiempirical methods. Chemical Physics 2008, 349, 334–347.
Zeitschriftenartikel
Fabiano, E.; Thiel, W. Nonradiative deexcitation dynamics of 9H-adenine: An OM2 surface hopping study. Journal of Physical Chemistry A 2008, 112, 6859–6863.
Zeitschriftenartikel
Fish, C.; Green, M.; Kilby, R. J.; McGrady, J. E.; Pantazis, D. A.; Russell, C. A. Promotion of phosphaalkyne cyclooligomerisation by a Sb(v) to Sb(iii)redox process. Dalton Transactions 2008, Nr. 28, 3753–3758.
Zeitschriftenartikel
Fürstner, A.; Alcarazo, M.; César, V.; Krause, H. Preparation of a Non-Symmetrical Imidazolium Salts: 1-Adamantyl-3-mesityl-4,5-dimethylimidazolium Tetrafluoroborate. Organic Syntheses 2008, 85, 34–44.
Zeitschriftenartikel
Geerke, D. P.; Thiel, S.; Thiel, W.; van Gunsteren, W. F. QM-MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians. Physical Chemistry Chemical Physics 2008, 10, 297–302.
Zeitschriftenartikel
Gobin, O. C.; Schüth, F. On the Suitability of Different Representations of Solid Catalysts for Combinatorial Library Design by Genetic Algorithms. Journal of Combinatorial Chemistry 2008, 10, 835–846.
Zeitschriftenartikel
Guo, L.; Nie, J.; Du, B.; Peng, Z.; Tesche, B.; Kleinermanns, K. Thermoresponsive polymer-stabilized silver nanoparticles. Journal of Colloid and Interface Science 2008, 319, 175–181.
Zeitschriftenartikel
Haenel, M. W.; Richter, U.-B.; Rufińska, A. Solid-State Hydrogenation/Hydrogenolysis of High-Rank Bituminous Coals with Gaseous Catalysts: New Perspectives for Coal Liquefaction and Metallurgical Coke Production. DGMK-Tagungsbericht 2008, .2008-3, 153–160.
Zeitschriftenartikel
Hinsch, A.; Behrens, S.; Berging, M.; Bonnemann, H.; Brandt, H.; Drewitz, A.; Einsele, F.; Faßler, D.; Gerhard, D.; Gores, H.; Haag, R.; Herzig, T.; Himmler, S.; Khelashvili, G.; Koch, D.; Nazmutdinova, G.; Opara-Krasovec, U.; Putyra, P.; Rau, U.; Sastrawan, R.; Schauer, T.; Schreiner, C.; Sensfuss, S.; Siegers, C.; Skupien, K.; Wachter, P.; Walter, J.; Wasserscheid, P.; Wurfel, U.; Zistler, M. Material development for dye solar modules: Results from an integrated approach. Progress in Photovoltaics 2008, 16, 489–501.
Zeitschriftenartikel
Hnyk, D.; Wann, D. A.; Holub, J.; Bühl, M.; Robertson, H. E.; Rankin, D. W. H. The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB₁₁H₁₁, determined by the concerted use of electron diffraction and computational methods. Dalton Transactions 2008, 96–100.
Zeitschriftenartikel
Kahakeaw, D.; Reetz, M. T. A cell-based adrenaline assay for automated high-throughput activity screening of epoxide hydrolases. Chemistry-an Asian Journal 2008, 3, 233–238.
Zeitschriftenartikel
Kinge, S.; Urgeghe, C.; De Battisti, A.; Bönnemann, H. Dependence of CO oxidation on Pt nanoparticle shape: a shape-selective approach to the synthesis of PEMFC catalysts. Applied Organometallic Chemistry 2008, 22, 49–54.
Zeitschriftenartikel
Klemm, E.; Dietzsch, E.; Schwarz, T.; Kruppa, T.; Lange de Oliveira, A.; Becker, F.; Markowz, G.; Schirrmeister, S.; Schütte, R.; Caspary, K. J.; Schüth, F.; Hönicke, D. Direct gas-phase epoxidation of propene with hydrogen peroxide on TS-1 zeolite in a microstructured reactor. Industrial & Engineering Chemistry Research 2008, 47, 2086–2090.
Zeitschriftenartikel
Lezanska, M.; Wloch, J.; Niedojadlo, J.; Kornatowski, J. Synthesis and characterization of carbonaceous replicas of multilayered vesicular siliceous materials. Microporous and Mesoporous Materials 2008, 111, 463–469.
Zeitschriftenartikel
Lu, A.-H.; Spliethoff, B.; Schüth, F. Aqueous Synthesis of Ordered Mesoporous Carbon via Self-Assembly Catalyzed by Amino Acid. Chemistry of Materials 2008, 20, 5314–5319.
Zeitschriftenartikel
Lu, A.-H.; Tüysüz, H.; Schüth, F. Synthesis of ordered mesoporous carbon containing highly dispersed copper-sulphur compounds in the carbon framework via a nanocasting route. Microporous and Mesoporous Materials 2008, 111, 117–123.
Zeitschriftenartikel
Luo, W.; Zhao, Y.; Ding, H.; Lin, X.; Zheng, H. Co-metabolic degradation of bensulfuron-methyl in laboratory conditions. Journal of Hazardous Materials 2008, 158, 208–214.
Zeitschriftenartikel
Mata, R. A.; Werner, H.-J.; Thiel, S.; Thiel, W. Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase. Journal of Chemical Physics 2008, 128, 025104.
Zeitschriftenartikel
Metzelthin, A.; Birer, Ö.; Sánchez-García, E.; Havenith, M. High resolution IR spectroscopy of acetylene-furan in ultracold helium nanodroplets. Journal of Chemical Physics 2008, 129, 114307.
Zeitschriftenartikel
Mladenovic, M.; Ansorg, K.; Fink, R. F.; Thiel, W.; Schirmeister, T.; Engels, B. Atomistic insights into the inhibition of cysteine proteases: First QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitors. Journal of Physical Chemistry B 2008, 112, 11798–11808.
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