Journal Article (157)

2008
Journal Article
Fabiano, E.; Keal, T. W.; Thiel, W. Implementation of Surface Hopping Molecular Dynamics Using Semiempirical Methods. Chemical Physics 2008, 349, 334–347.
Journal Article
Fabiano, E.; Thiel, W. Nonradiative Deexcitation Dynamics of 9H-Adenine: An OM2 Surface Hopping Study. Journal of Physical Chemistry A 2008, 112, 6859–6863.
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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, No. 28, 3753–3758.
Journal Article
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.
Journal Article
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.
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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.
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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.
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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.
Journal Article
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.
Journal Article
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.
Journal Article
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.
Journal Article
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.
Journal Article
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.
Journal Article
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.
Journal Article
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.
Journal Article
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.
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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.
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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.
Journal Article
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.
Journal Article
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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