Publications 2005 - present
2011
| 265. | C. Reibe, Z. Knez, E. Weidner, A new high-pressure micronisation process for the gentle processing of high molecular mass gelatin, Food and bioproducts processing (2011), DOI: 10.1016/j.fbp.2011.02.001 |
| 264. | K. Weise, S. Kapoor, C. Denter, J. Nikolaus, N. Opitz, S. Koch, G. Triola, A. Herrmann, H. Waldmann, R. Winter, Membrane-Mediated Induction and Sorting of K-Ras Microdomain Signaling Platforms. J. Am. Chem. Soc. 133, 880 (2011). |
| 263. | H.K. Arslan, O.I. Shekhah, D.C.F. Wieland, M. Paulus, C. Sternemann, M.A. Schroer, S. Tiemeyer, M. Tolan, R.A. Fischer, and Ch. Woell, Metal-organic frameworks: Reversible inclusion of an extended π-system, J. Am. Chem. Soc. 133, 8158 (2011). |
| 262. | D. Kumar, A. Altun, S. Shaik, W. Thiel, Water as Biocatalyst in Cytochrome P450. Faraday Discuss. 148, 373 (2011). |
| 261. | A. Metzelthin, E. Sánchez-García, Ö. Birer. G. Schwaab, W. Thiel, W. Sander, M. Havenith, Acetylene furan trimer formation at 0.37 K as a model for ultracold aggregation of non- and weakly polar molecules, ChemPhysChem. 12, 2009 (2011). |
| 260. | F. Wilhelm, W. Schmickler, R. Nazmutdinov and E. Spohr, Modeling Proton Transfer to Charged Silver Electrodes. Electrochim. Acta (2011), in press, Doi: http://dx.doi.org/10.1016/j. electacta.2011.04.036 |
| 259. | M.A. Ilhan, E. Spohr, Hydrogen bonding in narrow protonated polymer electrolyte pores, J. Electroanal. Chem. (2011), in press. Doi: http://dx.doi.org/10.1016/j.jelechem.2011.03.035 |
| 258. | R. Rinaldi, Instantaneous dissolution of cellulose in organic electrolyte solutions. Chem. Commun. 47, 511 (2011). |
| 257. | T. Fieback, F. Dreisbach, M. Petermann, R. Span, E. Weidner, New sorption and solvation measuring methods: Forced flow through liquids and solid state fluidised bed sorbents in high pressure gravimetry, Elsevier, Fluid Phase Equilibria, 301, 217, (2011) |
| 256. | S. Pollak, S. Kareth, A. Kilzer, M. Petermann, Thermal analysis of the droplet solidification in the PGSS-process, Elsevier, J Supercrit. Fluids, 56, 299 (2011) |
| 255. | S. Tang, A.-V. Mudring, Ionic liquids as Crystallization Media: Weakly-Coordinating Anions Do Coordinate in 1 ∞[Eu(OTf)3(CH3CN)3], Cryst. Growth & Des. 11, 1437 (2011). |
| 254. | T. Bäcker, O. Breunig, M. Valldor, K. Merz, V. Vasilieva, A.-V. Mudring, In-situ crystal growth and properties of the magnetic ionic liquid [C2mim][FeCl4], Cryst. Growth & Des. 11, 2564 (2011). |
| 253. | K. Richter, A. Birkner, A.-V. Mudring, Stability and growth behavior of transition metal nanoparticles in ionic liquids prepared by thermal evaporation: How stable are they really? PCCP 13, 7136 (2011) |
| 252. | Ö. Erdem, L. Schwartz, M. Stein, A. Silakov, S. Kaur-Ghumaan, P. Huang, S. Ott, E. Reijerse, W. Lubitz, A model of the [FeFe] hydrogenase active site with a biologically relevant azadithiolate bridge: A spectroscopic and theoretical investigation. Angew. Chem. Int. Ed. 50, 1439-1443 (2011). |
| 251. | M.-E. Pandelia, W. Nitschke, P. Infossi, M.-T. Giudici-Orticoni, E. Bill, W. Lubitz, Characterization of a unique [FeS] cluster in the electron transfer chain of the oxygen tolerant [NiFe] hydrogenase from Aquifex aeolicus. Proc. Natl. Acad. Sci. USA 108, 6097-6102 (2011). |
| 250. | D. Zacher, K. Yusenko, A. Bétard, S. Henke, M. Molon, T. Ladnorg, O. Shekhah, B. Schüpbach, T. de los Arcos, M. Krasnopolski, M. Meilikhov, J. Winter, Andreas Terfort, C. Wöll, R. A. Fischer, Liquid phase epitaxy of multi-component layer-based porous coordination polymer [M(L)(P)0.5]: Importance of deposition sequence on the oriented growth. Chem. Eur. J. 17, 1448-1455 (2011). |
| 249. | A. Dhar, K. Girdhar, D. Singh, H. Gelman S. Ebbinghaus, M. Gruebele. Protein Stability and Folding Kinetics in the Nucleus and Endoplasmic Reticulum of Eucaryotic Cells. Biophys. J., in press, doi:10.1016/ j.bpj.2011.05.071. |
| 248. | S. Ebbinghaus, M. Gruebele. Protein Folding Landscapes in the Living Cell. J. Phys. Chem. Lett. 2, 314-319 (2011). |
| 247. | H. Forbert, M. Masia, A. Kaczmarek-Kedziera, N.N. Nair, D. Marx, Aggregation-induced chemical reactions: Acid dissociation in growing water clusters, J. Am. Chem. Soc. 133, 4062 (2011). |
| 246. | M.-M. Huang, K. Schneiders, P.S. Schulz, P. Wasserscheid, H. Weingärtner, Ion speciation driving chirality transfer in imidazolium-based camphorsulfonate ionic liquids, Phys. Chem. Chem. Phys. 13, 4126 (2011). |
| 245. | M. Grossmann, B. Born, M. Heyden, D. Tworowski, G.B. Fields, I. Sagi, M. Havenith, Correlated structural kinetics and retarded solvent dynamics at the metalloprotease active site, Nat. Struct. Mol. Biol. accepted July 7 (2011). |
| 244. | M.A. Schroer, J. Markgraf, D.C.F. Wieland, Ch.J. Sahle, J. Möller, M. Paulus, M. Tolan, R. Winter, Nonlinear pressure dependence of the interaction potential of dense protein solutions, Phys. Rev. Lett. 106, 178102 (2011). |
| 243. | G. Gasser, A.M. Sosniak, N. Metzler-Nolte, Metal-containing peptide nucleic acid conjugates, Dalton Trans., 40, 7061 (2011) |
| 242. | M. Farnesi Camellone, P. M. Kowalski, D. Marx, Ideal, defective, and gold-promoted rutile TiO2(110) surfaces interacting with CO, H2, and H2O: Structures, energies, thermodynamics, and dynamics from PBE+U, Phys. Rev. B 84, 035413-1-18 (2011). |
| 241. | N. Artrith, T.Morawietz, J. Behler, High-Dimensional Neural Network Potentials for Multicomponent Systems: Applications to Zinc Oxide, Phys. Rev. B. 83, 153101-1-4 (2011). |
| 240. | I.E.L. Stephens, A.S. Bandarenka, F.J. Perez-Alonso, F. Calle-Vallejo, L. Bech, T.P. Johansson, A.K. Jepsen, R. Frydendal, B.P. Knudsen, J. Rossmeisl, I. Chorkendorff, Tuning the activity of Pt(111) for oxygen electroreduction by subsurface alloying, J. Am. Chem. Soc. 133, 5485 (2011). |
| 239. | S. Schwamborn, M. Bron, W. Schuhmann, Probing the Pt surface for oxygen reduction by insertion of Ag, Electroanalysis 23, 588 (2011). |
| 238. | C.J. Jia, F. Schüth, Colloidal Metal Nanoparticles as a Component of Designed Catalyst, Phys. Chem. Chem. Phys. 13, 2457(2011). |
| 237. | M. A. Schroer, Y. Zhai, D. C. F. Wieland, C. J. Sahle, J. Nase, M. Paulus, M. Tolan, and R. Winter, Exploring the Piezophilic Behavior of Natural Cosolvent Mixtures, Angew. Chem. Int. Ed. 50, 11413-11416 (2011) |
2010
| 236. | M. Parac, M. Doerr, C. M. Marian, W. Thiel, QM/MM Calculation of Solvent Effects on Absorption Spectra of Guanine. J. Comput. Chem. 31, 90 (2010). |
| 235. | W. Schmidt, P. Bussian, M. Lindén, H. Amenitsch, P. Agren, M. Tiemann, F. Schüth, Accessing ultrashort reaction times in particle formation with SAXS experiments: ZnS precipitation on the microsecond time scale. J. Am. Chem. Soc. 132, 6822 (2010). |
| 234. | C.J. Jia, L. Yong, H. Bongard, F. Schüth, Very low temperature CO oxidation over colloidally deposited gold nanoparticles on Mg(OH)2 and MgO. J. Am. Chem. Soc. 132, 1520 (2010). |
| 233. | A. Mardyukov, R. Crespo-Otero, E. Sanchez-Garcia, W. Sander, Photochemistry and Reactivity of the Phenyl Radical-Water System: A Matrix Isolation and Computational Study, Chem. Eur. J., 16, 8679 (2010). |
| 232. | D. Grote, Ch. Finke, S. Kossmann, F. Neese, W. Sander, 3,4,5,6-Tetrafluorophenylnitren-2-yl: A Ground-State Quartet Triradical. Chem. Eur. J. 16, 4496 (2010). |
| 231. | R. Rinaldi, N. Meine, J. vom Stein, R. Palkovits, F. Schüth, Which Controls the Depolymerization of Cellulose in Ionic Liquids: The Solid Acid Catalyst or Cellulose? ChemSusChem. 3, 266 (2010). |
| 230. | G. Jäger, Z. Wu, K. Garschhammer, P. Engel, T. Klement, R. Rinaldi, A. Spiess, J. Büchs, Practical screening of purified cellobiohydrolases and endoglucanases with alpha-cellulose and specification of hydrodynamics. Biotechnol. Biofuels 3, 18 (2010). |
| 229. | N. Meine, F. Benedito, R. Rinaldi, Thermal stability of ionic liquids assessed by potentiometric titration. Green Chem. 12, 1711 (2010). |
| 228. | R. Rinaldi, P. Engel, J. Büchs, A. C. Spiess, F. Schüth, An integrated catalytic approach to fermentable sugars from cellulose. ChemSusChem. 3, 1151 (2010). |
| 227. | L. Huang, P. Noeres, M. Petermann, C. Doetsch, Experimental study on heat capacity of paraffin/ water phase change emulsion. Energ. Convers. Manage. 51, 1264 (2010). |
| 226. | S. Pollak, M. Petermann, S. Kareth, A. Kilzer, Manufacturing of pulverised Nanocomposites– Dosing and dispersion of additives by the use of supercritical carbon dioxide. J. Supercrit. Fluids 53, 137 (2010). |
| 225. | S. Schimpf, A. Rittermeier, X. Zhang, Z. Li, M. Spasova, M. van den Berg, M. Farle, Y. Wang, R. Fischer, M. Muhler, Stearate-Based Cu Colloids in Methanol Synthesis: Structural Changes Driven by Strong Metal-Support Interactions. Chem. Cat. Chem. 2, 214 (2010). |
| 224. | B. Graf, H. Schulte, M. Muhler, The Formation of Methane over Iron Catalysts Applied in Fischer- Tropsch Synthesis: A Transient and Steady State Kinetic Study. J. Catal. 276, 66 (2010). |
| 223. | A. Babai, S. Pitula, A.-V. Mudring, Ligand Exchange in Ionic Liquids, Eur. J. Inorg. Chem. 31, 4993 (2010) |
| 222. | E. Boroqqs, M. J. Earle, M.A. Gilea, Al J. Robertson, K.R. Seddon, A.Tomaszowska,J. Vyle, F. Rieger, L. Trusov, A.-V. Mudring, On the dissolution of non-metalic elements (S, Se, Te and P) in ionic liquids. Chem. Commun. 46, 716 (2010). |
| 221. | X. Wang, F. W. Heinemann, M. Yang, B. Melcher, M. Fekete, A.-V. Mudring, P. Wasserscheid, K. Meyer, Double alkyl-substituted, liquid crystalline imidazolium ionic liquids – new structural features, viscosity effects and thermal properties. Chem. Commun. 7405 (2009). |
| 220. | M. Mehlhorn, H. Gawronski, K. Morgenstern, Non-adiabatic attraction of repelling molecules revealed by fs-STM, Phys. Rev. Lett. 104, 076101 (2010). |
| 219. | H. Gawronski, M. Mehlhorn, K. Morgenstern, Real-Space investigation of non-adiabtic CO2 synthesis, Angew. Chemie Int. Ed. 49, 5913 (2010). |
| 218. | D. Marx, A. Chandra, M.E. Tuckerman, Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion and Comparison to the Hydrated Proton. Chem. Rev. 110, 2174 (2010). |
| 217. | S. D. Ivanov, O. Asvany, A. Witt, E. Hugo, G. Mathias, B. Redlich, D. Marx , S. Schlemmer, Quantum-induced symmetry breaking explains infrared spectra of CH5 + isotopologues. Nat. Chem. 2, 298 (2010). |
| 216. | M.-E. Pandelia, V. Fourmond, P. Tron-Infossi, E. Lojou, P. Bertrand, C. Léger, M.-Th. Giudici- Orticoni, W. Lubitz, The membrane-bound hydrogenase I from the hyperthermophilic bacterium Aquifex aeolicus: Enzyme activation, redox intermediates and oxygen tolerance J. Am. Chem. Soc. 132, 6991-7004 (2010). |
| 215. | N. Cox, H. Ogata, P. Stolle, E. Reijerse, G. Auling, W. Lubitz, A Tyrosyl-Dimanganese Coupled Spin System is the Native Metalloradical Cofactor of the R2F subunit of the Ribonucleotide Reductase of Corynebacterium ammoniagenes. J. Am Chem. Soc. 132, 11197-11213 (2010). |
| 214. | O. Lifchits, C.M. Reisinger, B. List, Catalytic Asymmetric Epoxidation of α-Branched Enals. J. Am. Chem. Soc. 132, 10227 (2010). |
| 213. | B. List, Emil Knoevenagel and the Roots of Aminocatalysis. Angew. Chem. Int. Ed. 49,1730 (2010). |
| 212. | I. Coric, S. Vellalath, B. List, Catalytic Asymmetric Transacetalization. J. Am. Chem. Soc. 132, 8536 (2010). |
| 211. | I. C. Rosnizeck, T. Graf, M. Spoerner, J. Tränkle, D. Filchtinski, C. Herrmann, L. Gremer, I. R. Vetter, A. Wittinghofer, B. König, H. R. Kalbitzer, Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes. Angew. Chem. Int. Ed. 49, 3830 (2010). |
| 210. | C. Bee, A. Moshnikova, C. D. Mellor, JE. Molloy, Y. Koryakina, B. Stieglitz, A. Khokhlatchev, C. Herrmann, Growth and tumor suppressor NORE1A is a regulatory node between Ras signaling and microtubule nucleation. J. Biol. Chem. 285, 16258 (2010). |
| 209. | D. Constantinescu, C. Herrmann, H. Weingärtner, Patterns of protein unfolding and aggregation in ionic liquids. Phys. Chem. Chem. Phys. 12, 1756 (2010). |
| 208. | K. Meister, J. Niesel, U. Schatzschneider, N. Metzler-Nolte, D.A. Schmidt, M. Havenith, Label-free imaging of metal-carbonyl complexes in live cells by Raman microspectroscopy. Angew. Chem. Int. Ed. 49, 3310 (2010). |
| 207. | C. Hättig, D. P. Tew, A. Köhn, Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12. J. Chem. Phys. 132, 231102 (2010). |
| 206. | S. Henke, S. Grunwaldt, R. Schmid, R. A. Fischer, Flexibility and Sorption Selectivity in Rigid Metal-Organic Frameworks: The Impact of Ether-Functionalised Linkers. Chem. Eur. J. 16, 14296-14306 (2010). |
| 205. | S. Schimpf, A. Rittermeier, X. Zhang, Z.-A. Li, M. Spasova, M. W.E. van den Berg, M. Farle, Y. Wang, R. A. Fischer and M. Muhler, Morphological changes of stearate-based Cu colloids in methanol synthesis: indication of strong metal-support interactions. Chem. Cat. Chem. 2, 214-222 (2010). |
| 204. | A. Caporale, M. Sturlese, L. Gesiot, F. Zanta, A. Wittelsberger, C. Cabrele, Side-chain cyclization based on serine residues: Synthesis, structure and activity of a novel cyclic analogue of the parathyroid hormone fragment 1-11. J. Med. Chem. 53, 8072 (2010). |
| 203. | W. Hild, K. Pollinger, A. Caporale, C. Cabrele, M. Keller, N. Pluym, A. Buschauer, R. Rachel, J. Tessmar, M. Breunig, A. Goepferich, G protein-coupled receptors function as logic gates for nanoparticle binding and cell uptake. Proc. Natl. Acad. Sci. U.S.A. 107, 1066 (2010). |
| 202. | M. Beißwenger, T. Yoshiya, Y. Kiso, C. Cabrele, Synthesis and conformation of an analog of the helix-loop-helix domain of the Id1 protein containing the O-acyl iso-prolyl-seryl switch motif. J. Pept. Sci. 16, 303 (2010). |
| 201. | C. Carbogno, J. Behler, and K. Reuter, A. Groß, Signatures of nonadiabatic O2 dissociation at Al (111): First-principles fewest-switches study. Phys. Rev. B. 81, 035410 (2010). |
| 200. | R.Z. Khaliullin, H. Eshet, T.D. Kühne, J. Behler, M. Parrinello, Ab initio quality study of the graphitediamond phase coexistence. Phys. Rev. B. 82, 100103 (2010). |
| 199. | A. Dhar, S. Ebbinghaus, Z. Shen, T. Mishra, M. Gruebele. The diffusion coefficient for PGK folding in eukaryotic cells. Biophys. J. 99, 69-71 (2010). |
| 198. | A. Dhar, A. Samiotakis, S. Ebbinghaus, L. Nienhaus, D. Homouz, M. Gruebele, M. S. Cheung. Cell-like conditions induce conformational changes and non-monotonic protein folding kinetics in phosphoglycerate kinase. Proc. Natl. Acad. Sci. USA 107, 17586-17591 (2010). |
| 197. | S. Pitula, A.-V. Mudring: Optical basicity of ionic liquids, Phys. Chem. Chem. Phys. 12, 2056 (2010). |
| 196. | M. Baer, D. Marx, G. Mathias, Theoretical messenger spectroscopy of microsolvated hydronium and Zundel cations, Angew. Chem. Int. Ed., 49, 7346 (2010). |
| 195. | A Mardyukov, E. Sánchez-García, R. Crespo-Otero, W. Sander, Interaction and reaction of the phenyl radical with water – a new source of OH radicals, Angew. Chem. Int. Ed. 48, 4804 (2010). |
| 194. | D.H. Friese, C. Hättig, M. Rohe, K. Merz, A. Rittermeier, M. Muhler, Oxidation of 2-Propanol by Peroxo Titanium Complexes: A Combined Experimental and Theoretical Study, J. Phys. Chem. C 114, 19415 (2010). |
| 193. | A. Maljusch, T.C. Nagaiah, S. Schwamborn, M. Bron, W. Schuhmann. Pt-Ag catalysts as oxygen-depolarized cathode material for hydrochloric acid electrolysis, Anal. Chem. 82, 1890 (2010). |
| 192. | F. Wilhelm, W. Schmickler, E. Spohr, Proton transfer to charged platinum electrodes. A molecular dynamics trajectory study, J. Phys. Condens. Matter 22, 75001 (2010). |
| 191. | S. Ebbinghaus, A. Dhar, J.D. McDonald, M. Gruebele, Protein folding stability and dynamics imaged in a living cell, Nat. Methods 7, 319 (2010). |
| 190. | S. Ebbinghaus, K. Meister, B. Born, A.L. DeVries, M. Gruebele, M. Havenith. Antifreeze glycoprotein activity correlates with long-range protein-water dynamics, J. Am. Chem. Soc. 132, 12210 (2010). |
| 189. | M. Heyden, J. Sun, S. Funkner, G. Mathias, H. Forbert, M. Havenith, D. Marx, Dissecting the THz spectrum of liquid water from first principles via correlations in time and space, Proc. Natl. Acad. Sci. U.S.A. 107, 12068 (2010). |
| 188. | W. Hild, K. Pollinger, A. Caporale, C. Cabrele, M. Keller, N. Pluym, A. Buschauer, R. Rachel, J. Tessmar, M. Breunig, A. Goepferich, G protein-coupled receptors function as logic gates for nano-partilce binding and cell uptake, Proc. Natl. Acad. Sci. U.S.A. 107, 10667 (2010). |
| 187. | J. Rinnenthal, B. Klinkert, F. Narberhaus, H. Schwalbe, Direct observation of the temperatureinduced melting process of the Salmonella fourU RNA thermometer at base-pair resolution, Nucleic Acids Res. 38, 3834 (2010). |
| 186. | C. Hättig, D.P. Tew, A. Köhn, Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12, J. Chem. Phys. 132, 231102 (2010). |
| 185. | P. Neuhaus, W. Sander, Isolation and characterization of the triradical 1,3,5-trimethylenebenzene, Angew. Chem. Int. Ed. 49, 7277 (2010). |
| 184. | K. Richter, A. Birkner, A.-V. Mudring: Stabilizer-free, long-time stable copper nanoparticles and copper-zinc oxide nanocomposites via physical vapour deposition into ionic liquids, Angew. Chem. Int. Ed. 49, 2431 (2010). |
| 183. | S. Pitula, A.-V. Mudring: Optical basicity of ionic liquids, Phys. Chem. Chem. Phys. 12, 2056 (2010). |
| 182. | M. Baer, D. Marx, G. Mathias, Theoretical messenger spectroscopy of microsolvated hydronium and Zundel cations, Angew. Chem. Int. Ed., 49, 7346 (2010). |
| 181. | D. A. Bock, C. W. Lehmann, B. List, Crystal structures of proline-derived enamines, Proc. Natl. Acad. Sci. U.S.A. 107, 20636 (2010). |
| 180. | A Mardyukov, E. Sánchez-García, R. Crespo-Otero, W. Sander, Interaction and reaction of the phenyl radical with water – a new source of OH radicals, Angew. Chem. Int. Ed. 48, 4804 (2010). |
2009
| 179. | F. Evers, C. Jeworrek, S. Tiemeyer, K. Weise, D. Sellin, M. Paulus, B. Struth, M. Tolan, R. Winter, Elucidating the mechanism of lipid membrane-induced IAPP fibrillogenesis and its Inhibition by the red wine compound resveratrol. A synchrotron x-ray reflectivity study. J. Am. Chem. Soc. 131, 9516 (2009). |
| 178. | S. Jha, D. Sellin, R. Seidel, R. Winter, Amyloidogenic Propensities and Conformational Properties of ProIAPP and IAPP in the Presence of Lipid Bilayer Membranes. J. Mol. Biol. 389, 907 (2009) |
| 177. | E. Weidner, High pressure micronization for food applications. J Supercrit. Fluids 47, 556 (2009). |
| 176. | A. Martin, M. H. Pham, A. Kilzer, S. Kareth, E. Weidner, Phase equilibria of carbon dioxide+polyethylene glycol+water mixtures at high pressure: Measurements and modelling. Fluid Phase Equilibr. 286, 162 (2009). |
| 175. | H. Lyko, G. Deerberg, E. Weidner, Coupled production in biorefineries-Combined use of biomass as a source of energy, fuels and materials. J. Biotechnol. 142, 78 (2009). |
| 174. | F. Lehmkühler, M. Paulus, C. Sternemann, D. Lietz, F. Venturini, C. Gutt, and M. Tolan, The carbon dioxide-water interface at conditions of gas hydrate formation. J. Am. Chem. Soc. 131, 585 (2009). |
| 173. | H. Conrad, F. Lehmkühler, C. Sternemann, A. Sakko, D. Paschek, L. Simonelli, S. Huotari, O. Feroughi, M. Tolan, K. Hämäläinen,Tetrahydrofuran clathrate hydrate formation. Phys. Rev. Lett. 103, 21830 (2009). |
| 172. | H. M. Senn, W. Thiel, QM/MM Methods for Biomolecular Systems. Angew. Chem. Int. Ed. 48, 1198 (2009). |
| 171. | T. Benighaus, W. Thiel, A General Boundary Potential for Hybrid QM/MM Simulations of Solvated Biomolecular Systems. J. Chem. Theory Comput. 5, 3114 (2009). |
| 170. | R. Posner, T. Titz, K. Wapner, M. Stratmann, G. Grundmeier, Transport processes of hydrated ions at polymer/oxide/metal interfaces. Part 2: Transport on oxide covered iron and zinc surfaces. Electrochim. Acta 54, 900 (2009). |
| 169. | M. Rohwerder, S. Isik-Uppenkamp, M. Stratmann, Application of SKP for in situ monitoring of ion mobility along insulator/insulator interfaces. Electrochim. Acta 54, 6058 (2009). |
| 168. | R. Hausbrand, M. Stratmann, M. Rohwerder, Corrosion of zinc-magnesium coatings: Mechanism of paint delamination. Corros. Sci. 51, 2107 (2009). |
| 167. | L. Stoica, N. Dimcheva, Y. Ackermann, K. Karnicka, D. A. Guschin, P. J. Kulesza, J. Rogalski, D. Haltrich, R. Ludwig, L. Gorton, W. Schuhmann, Membrane-less biofuel cell based on cellobiose dehydrogenase (anode)/laccase (cathode) wired via specific Os-redox polymers. Fuel Cells 9, 53 (2009). |
| 166. | S. Schwamborn, L. Stoica, S. Neugebauer, T. Reda, H.-L. Schmidt, W. Schuhmann, Local modulation of the redox state of p‑nitrothiophenol self-assembled monolayers using the direct mode of scanning electrochemical microscopy. ChemPhysChem. 10, 1066 (2009). |
| 165. | X. Chen, K. Eckhard, M. Zhou, M. Bron, W. Schuhmann, Electrocatalytic activity of spots of electrodeposited noble-metal catalysts on carbon nanotubes modified glassy carbon. Anal. Chem. 81, 7597 (2009). |
| 164. | U. Eberle, M. Felderhoff, F. Schüth, Chemical Solutions for Hydrogen Storage. Angew. Chem. Int. Ed. 48, 6608 (2009). |
| 163. | R. Palkovits, C. Baltes, M. Antonietti, P. Kuhn, A. Thomas, F. Schüth, Solid Catalysts for the direct oxidation of methane to methanol. Angew. Chem. Int. Ed. 48, 6909 (2009). |
| 162. | A. Mardyukov and W. Sander, Matrix Isolation and Spectroscopic Characterization of the Phenylperoxy Radical and its Rearranged Products. Chem. Eur. J. 15, 1462 (2009). |
| 161. | A. Mardyukov, E. Sánchez-García, W. Sander, Matrix Isolation and Ab Initio Study of the Noncovalent Complexes between Formamide and Acetylene. J. Phys. Chem. A 113, 1086 (2009). |
| 160. | R. Rinaldi, A. M. Porcari, T. C. R. Rocha, W. H. Cassinelli, R. U. Ribeiro, J. M. C. Bueno, D. Zanchet, Construction of heterogeneous Ni catalysts from supports and colloidal nanoparticles – A challenging puzzle. J. Mol. Catal. A Chem. 301, 11 (2009). |
| 159. | R. Rinaldi, F. Schüth, Design of solid catalysts for the conversion of biomass. Energy Environ. Sci. 2, 610 (2009). |
| 158. | R. Rinaldi, F. Schüth, Acid hydrolysis of cellulose as the entry point into biorefinery schemes. ChemSusChem. 2, 1096 (2009). |
| 157. | L. Huang, M. Petermann, C. Doetsch, Evaluation of paraffin/water emulsion as a phase change slurry for cooling applications. Energy 34, 1145 (2009). |
| 156. | R. Chetty, S. Kundu, W. Xia, M. Bron, W. Schuhmann, C. Chirila, W. Brandl, R. Reinecke, M. Muhler, PtRu nanoparticles supported on nitrogen-doped multiwalled carbon nanotubes as catalyst for methanol electrooxidation. Electrochim. Acta 54, 4208 (2009). |
| 155. | X. Wang, F. W. Heinemann, M. Yang, B. Melcher, M. Fekete, A.-V. Mudring, P. Wasserscheid, K. Meyer, Double alkyl-substituted, liquid crystalline imidazolium ionic liquids – new structural features, viscosity effects and thermal properties. Chem. Commun. 7405 (2009). |
| 154. | K. Morgenstern, Isomerisation reactions on single adsorbed molecules, Acc. Chem. Res. 42, 213 (2009). |
| 153. | V. Simic-Milosevic, J. Meyer, K. Morgenstern, Chirality Change of Chloronitrobenzene on Au(111) Induced by Inelastic Electron Tunneling, Angew. Chemie Int. Ed. 48, 4061 (2009) |
| 152. | M. Mehlhorn, J. Carrasco, A. Michaelides, K. Morgenstern, Local Investigation of Femtosecond Laser Induced Dynamics of Water nanoclusters on Cu(111), Phys. Rev. Lett. 103, 026101 (2009). |
| 151. | A. Silakov, B. Wenk, E. Reijerse, W. Lubitz, 14N HYSCORE investigation of the H-cluster of [FeFe] hydrogenase: Evidence for a nitrogen in the Dithiol bridge. Phys. Chem. Chem. Phys. 11, 6592 – 6599 (2009). |
| 150. | P. Garcia Garcia, F. Lay, C. Rabalakos, B. List, A Powerful Chiral Counteranion Motif for Asymmetric Catalysis. Angew. Chem. Int. Ed. 48, 4363 (2009). |
| 149. | A. Michrowska, B. List, Concise synthesis of ricciocarpin A and discovery of a more potent analogue. Nature Chem. 1, 225 (2009). |
| 148. | T. Vöpel, S. Kunzelmann, C. Herrmann, Nucleotide dependent cysteine reactivity of hGBP1 uncovers a domain movement during GTP hydrolysis. FEBS Lett. 583, 1923 (2009). |
| 147. | C. Kiel, D. Filchtinski, M. Spoerner, G. Schreiber, H. R. Kalbitzer, C. Herrmann, Improved binding of Raf to Ras-GDP is correlated with biological activity. J. Biol. Chem. 284, 31893 (2009). |
| 146. | M. Hothorn, H. Neumann, E. D. Lenherr, M. Wehner, V. Rybin, P. O. Hassa, A. Uttenweiler, M. Reinhardt, A. Schmidt, J. Seiler, A. G. Ladurner, C. Herrmann, K. Scheffzek, A. Mayer, Catalytic core of a membrane-associated eukaryotic polyphosphate polymerase. Science 324, 513 (2009). |
| 145. | D. A. Schmidt, Ö. Birer, S. Funkner, B. Born, R. Gnanasekaran, G. Schwaab, D. M. Leitner, M. Havenith, Rattling in the cage: ions as probes of sub-ps water network dynamics. J. Am. Chem. Soc. 131, 18512 (2009). |
| 144. | T. S. Balaban, P. Braun, C. Hättig, A. Hellweg, J.Kern, W. Saenger, A. Zouni, Preferential pathways for light-trapping involving beta-ligated chlorophylls. Biochim. Biophys. Acta 1787, 1254-1265 (2009). |
| 143. | A. Rittermeier, S. Miao, M. K. Schröter, X. Zhang, M. W. E. van den Berg, S. Kundu, Y. Wang, S. Schimpf, E. Löffler, R. A. Fischer, M. Muhler, The Formation of Colloidal Copper Nanoparticles Stabilized by Zink Stearate: One-Pot Single-Step Synthesis and Characterization of the Core-Shell Particles, Phys. Chem. Chem. Phys. 11, 8358-8366 (2009). |
| 142. | O. Shekhah, H. Wang, M. Paradinas, C. Ocal, B. Schüpbach, A. Terfort, D. Zacher, R. A. Fischer, C. Wöll, Controlling Interpenetration in Metal-Organic Frameworks by Liquid Phase Epitaxy, Nat. Mater. 8, 481-484 (2009). |
| 141. | S. Pellegrino, N. Ferri, N. Colombo, E. Cremona, A. Corsini, R. Fanelli, M. L. Gelmi, C. Cabrele, Synthetic peptides containing a conserved sequence motif of the Id protein family modulate vascular smooth muscle cell phenotype. Bioorg. Med. Chem. Lett. 19, 6298 (2009). |
| 140. | A. A. Grauer, C. Cabrele, M. Zabel, B. König, Stable right- and left-handed peptide helices containing Cα-tetrasubstituted α-amino acids. J. Org. Chem. 74, 3718 (2009). |
| 139. | B. Born, S. J. Kim, S. Ebbinghaus, M. Gruebele, M. Havenith. The terahertz dance of water with the proteins: the effect of protein flexibility on the dynamical hydration shell of ubiquitin. Faraday Discuss. 141, 161-173 (2009). |
| 138. | A. Gutberlet, G. Schwaab, Ö. Birer, M. Masia, A. Kaczmarek, H. Forbert, M. Havenith, D. Marx Aggregation induced dissociation of HCl (H2O)4 below 1 K: The smallest droplet of acid, Science 324, 1545 (2009). |
| 137. | W. H. James III, C. W. Müller, E. G. Buchanan, M.G.D. Nix, L. Guo, L. Roskop, M.S. Gordon, L.V. Slipchenko, S.H. Gellman, T.S. Zwier, Intramolecular amide stacking and its competition with hydrogen bonding in a small foldamer, J. Am. Chem. Soc. 131, 14243 (2009). |
| 136. | A. Shubert, C.W. Müller, T.S. Zwier, Water’s role in reshaping a macrocycle’s binding pocket: Infrared and ultraviolet spectroscopy of benzo-15-crown-5-(H2O)n and 4’-aminobenzo-15- crown-5-(H2O)n, n=1, 2, J. Phys. Chem. A 113, 8067 (2009). |
2008
| 135. | E. Weidner, M. Petermann, Processing of micro- and nano-scale materials by supercritical fluid technology, in Supercritical Fluid Extraction of Nutraceuticals and Bioactive Compounds, J. L. Martinez, Ed. CRC Press, Boca Raton 367 ( 2008) . |
| 134. | T. Vatai, M. Skerget, Z. Knez, S. Kareth, M. Wehowski, E. Weidner, Extraction and formulation of anthocyanin-concentrates from grape residues. J. Supercrit. Fluids 45, 32 (2008). |
| 133. | M. Wehowski, E. Weidner, A. Kilzer, Production of powderous emulsions. Colloids Surface A 331, 143 (2008). |
| 132. | R. Mishra, R. Winter, Cold- and pressure-induced dissociation of protein aggregates and amyloid fibrils. Angew. Chem. Int. Ed. 120, 6618 (2008). |
| 131. | R. Mishra, B. Bulic, D. Sellin, S. Jha, H. Waldmann, R. Winter, Small molecule inhibitors of islet amyloid polypeptide fibril formation. Angew. Chem. Int. Ed. 47, 4679 (2008). |
| 130. | L. Mitra, J.-B. Rouget, B. Garcia-Moreno, C. A. Royer, R. Winter, Towards a quantitative understanding of protein hydration and volumetric properties. ChemPhysChem. 9, 2715 (2008). |
| 129. | T. Benighaus, W. Thiel, Efficiency and Accuracy of the Generalized Solvent Boundary Potential for Hybrid QM/MM Simulations: Implementation for Semiempirical Hamiltonians. J. Chem. Theory Comput. 4, 1600 (2008). |
| 128. | M. Mezger, H. Schröder, H. Reichert, S. Schramm, J.S. Okasinski, S. Schöder, V. Honkimäki, M. Deutsch, B.M. Ocko, J. Ralston, M. Rohwerder, M. Stratmann, H. Dosch, Molecular layering of fluorinated ionic liquids at a charged sapphire (0001) surface, Science 322, 424 (2008). |
| 127. | F. Wilhelm, W. Schmickler, R. R. Nazmutdinov, E. Spohr, A Model for Proton Transfer to Metal Electrodes. J. Phys. Chem. C 112, 10814 (2008). |
| 126. | S. Piskunov, E. Heifets, T. Jacob, E. Kotomin, D. E. Ellis, E. Spohr, Electronic structure and thermodynamic stability of LaMnO3 and La1-xSrxMnO3 surfaces: Ab initio calculations. Phys. Rev. B 78, 121406 (2008). |
| 125. | K. Eckhard, W. Schuhmann, Alternating current techniques in scanning electrochemical microscopy (AC-SECM). The Analyst 133, 1486 (2008). |
| 124. | R. Rinaldi, R. Palkovits, F. Schüth, Depolymerization of cellulose by solid catalysts in ionic liquids. Angew. Chem. Int. Ed. 47, 8047 (2008). |
| 123. | B. B. Schaack, W. Schrader, F. Schüth, Detection of structural elements of different zeolites in nucleating solutions by electrospray ionisation mass spectrometry (ESI-MS). Angew. Chem. Int. Ed. 47, 9092 (2008). |
| 122. | E. Sánchez-García, A. Mardyukov, W. Sander, A. Tekin, G. Jansen, R. Crespo-Otero, L. A. Montero, Ab initio and Matrix Isolation Study of the Acetylene – Furan Dimers. Chem. Phys. 343, 168 (2008). |
| 121. | R. Rinaldi, P. L. O. Volpe, I. L. Torriani, L-Tryptophan transport through a hydrophobic liquid membrane using AOT micelles: Dynamics of the process as revealed by small angle X-ray scattering. J. Colloid Interf. Sci. 318, 59 (2008). |
| 120. | D. Meterc, M. Petermann, E. Weidner, Drying of Aqueous Green Tea Extract using a Supercritical Fluid Spray Process. J. Supercrit. Fluids 45, 253 (2008). |
| 119. | M. Petermann, T. Weissert, S. Kareth, H. W. Lösch, F. Dreisbach, New Instrument to measure the Selective Sorption under High Pressures. J. Supercrit. Fluids 45, 156 (2008). |
| 118. | E. Weidner, M. Petermann, Preparation and processing of micro and nano-scale materials by supercritical fluid technology, in Supercritical Fluid Extraction of Nutraceuticals and Bioactive Compounds, J. L. Martinez, Eds. CRC Press Inc., Boca Raton, 367 (2008). |
| 117. | H. Noei, H. Qiu, Y. Wang, E. Löffler, C. Wöll, M. Muhler, The identification of hydroxyl groups on ZnO nanoparticles by infrared spectroscopy. Phys. Chem. Chem. Phys. 10, 7092 (2008). |
| 116. | J. Assmann, V. Narkhede, N.A. Breuer, M. Muhler, A.P. Seitsonen, M. Knapp, D. Crihan A. Farkas, G. Mellau, H. Over, Heterogeneous Oxidation Catalysis on Ruthenium: Bridging the Pressure and Materials gaps and Beyond. J. Phys. Condens. Matter 20, 184017 (2008). |
| 115. | S.-F. Tang, A. Babai, A.-V. Mudring, Low melting europium ionic liquids as luminescent soft materials. Angew. Chem. Int. Ed. 120, 7631 (2008). |
| 114. | H. Gawronski, M. Mehlhorn, K. Morgenstern, Imaging phonons excitation with atomic resolution, Science 319, 930 (2008). |
| 113. | E. Schreiner, N.N. Nair, D. Marx, Influence of Extreme Themodynamic Conditions and Pyrite Surfaces on Peptide Synthesis in Aequos Media. J. Am. Chem. Soc. 130, 2768 (2008). |
| 112. | W. Lubitz, E. J. Reijerse, J. Messinger, Solar water-splitting into H2 and O2: Design principles of photosystem II and hydrogenases. Energy Environ. Sci. 1, 15-31 (2008). |
| 111. | C. M. Reisinger, X. Wang , B. List, Catalytic Asymmetric Hydroperoxidation of α, β- Unsaturated Ketones: An Approach to Enantiopure Peroxyhemiketals, Epoxides, and Aldols. Angew. Chem. Int. Ed. 47, 8112 (2008). |
| 110. | X. Wang, C. M. Reisinger, B. List, Catalytic Asymmetric Epoxidation of Cyclic Enones. J. Am. Chem. Soc. 130, 6070 (2008). |
| 109. | J. W. Yang, C. Chandler, M. Stadler, D. Kampen, B. List, Proline-Catalyzed Mannich Reactions of Acetaldehyde. Nature 452, 453 (2008). |
| 108. | B. Stieglitz, C. Bee, D. Schwarz, Ö. Yildiz, A. Moshnikova, A. Khokhlatchev, C. Herrmann, Novel type of Ras effector interaction established between tumor suppressor NORE1A and Ras switch II. EMBO J. 27, 1995 (2008). |
| 107. | D. Filchtinski, C. Bee, T. Savopol, M. Engelhard, C. F. Becker, C. Herrmann, Probing ras effector interactions on nanoparticle supported lipid bilayers. Bioconjug. Chem. 19, 1938 (2008). |
| 106. | M. Heyden, E. Bründermann, U. Heugen, G. Niehues, D.M. Leitner, M. Havenith, Long range influence of carbohydrates on the solvation dynamics of water – Answers from THz absorption measurements and molecular modeling simulations, J. Am. Chem. Soc. 130, 5773 (2008). |
| 105. | D. P. Tew, W. Klopper, C. Hättig, Diagonal orbital-invariant explicitly-correlated coupled-cluster method. Chem. Phys. Lett. 452, 326 (2008). |
| 104. | F. Schröder, D. Esken, M. Cokoja, M. W. E. van den Berg, O. Lebedev, G. Van Tendelo, B. Walaszek, G. Buntkowsky, H.-H. Limbach, B. Chaudret, R. A. Fischer, Ruthenium Nanoparticles Inside Porous [Zn4O(bdc)3] by Hydrogenolysis of Adsorbed [Ru(cod)(cot)]: A Solid State Reference System for Surfactant Stabilized Ruthenium Colloids. J. Am. Chem. Soc. 130, 6119-6130 (2008). |
| 103. | S. D. Kiewitz, M. Kruppa, A. Riechers, B. König, C. Cabrele, Recognition of the helix-loop-helix domain of the ld proteins by an artificial luminescent metal complex receptor. J. Mol. Recognit. 21, 79 (2008). |
| 102. | S. D. Kiewitz, T. Kakizawa, Y. Kiso, C. Cabrele, Switching from the unfolded to the folded state of the helix-loop-helix domain of the Id proteins based on the O-acyl isopeptide method. J. Pept. Sci. 14, 1209 (2008). |
| 101. | C. Carbogno, J. Behler, A. Groß, K. Reuter, Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111). Phys. Rev. Lett. 101, 096104 (2008). |
| 100. | J. Behler, R. Martoňák, D. Donadio, M. Parrinello, Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential. Phys. Rev. Lett. 100, 185501 (2008). |
| 99. | S. Ebbinghaus, S. J. Kim, M. Heyden, X. Yu, M. Gruebele, D. Leitner, M. Havenith. Protein sequence- and pH-dependent hydration probed by Terahertz spectroscopy. J. Am. Chem. Soc. 130, 2374-2375 (2008). |
| 98. | B. Mallick, B. Balke, C. Felser, A.-V. Mudring: Dysprosium room tempe-rature ionic liquids exhibiting strong luminescence and response to magnetic fields, Angew. Chem. Int. Ed. 47, 7635 (2008). |
| 97. | W. Sander, D. Grote, S. Kossmann, F. Neese, 2,3,5,6-Tetrafluorophenyl-nitren-4-yl: EPR spectroscopic characterization of a quartet ground state nitreno radical, J. Am. Chem. Soc. 130, 4396 (2008). |
| 96. | R. Crespo-Otero, E. Sánchez-García, R. Suardíaz, L.A. Montero, W. Sander, Ab Initio study of the interactions between simple radicals and water, Chem. Phys. 353, 193 (2008). |
| 95. | H. Weingärtner, Understanding ionic liquids at the molecular level: Facts, problems and controversies, Angew. Chem. 47, 654 (2008). |
| 94. | J. W. Yang, C. Chandler, M. Stadler, D. Kampen, B. List, Proline-Catalyzed Mannich Reactions of Acetaldehyde, Nature 452, 453 (2008). |
| 93. | S. J. Kim, B. Born, M. Havenith, M. Gruebele, Real-time detection of protein-water dynamics upon protein folding by Terahertz absorption, Angew. Chem. Int. Ed. 47, 6486 (2008). |
| 92. | E. Schreiner, N. N. Nair, D. Marx, Influence of Extreme Thermodynamic Conditions and Pyrite Surfaces on Peptide Synthesis in Aqueous Media, J. Am. Chem. Soc. (Communication) 130, 2768 (2008). |
| 91. | M. Mehlhorn, H. Gawronski, K. Morgenstern, Electron damage to supported ice investigated by scanning tunneling microscopy and spectroscopy, Phys. Rev. Lett. 101, 196101-1-4 (2008). |
| 90. | K. Eckhard, T. Erichsen, M. Stratmann, W. Schuhmann, Frequency-Dependent Alternating-Current Scanning Electrochemical Microscopy (4D AC-SECM) for Local Visualisation of Corrosion Sites, Chem. Eur. J. 14, 3968 (2008). |
| 89. | F. Wilhelm, W. Schmickler, R. R. Nazmutdinov, E. Spohr, A Model for Proton Transfer to Metal Electrodes. J. Phys. Chem. C 112, 10814 (2008). |
| 88. | H. Gawronski, J. Carrasco, A. Michaelides, K. Morgenstern, Manipulation and control of hydrogen bond dynamics in adsorbed ice nanoclusters, Phys. Rev. Lett. 101, 136102-1-4 (2008). |
| 87. | M. Paulus, D. Lietz, C. Sternemann, K. Shokuie, F. Evers, M. Tolan, C. Czeslik, R. Winter, An access to buried interfaces: the X-ray reflectivity set-up of BL9 at DELTA, J. Synchrotron Rad. 15, 600 (2008). |
| 86. | H. Gawronski, M. Mehlhorn, K. Morgenstern, Imaging phonon excitations with atomic resolution, Science 319, 930 (2008). |
2007
| 85. | N. Javid, K. Vogtt, C. Krywka, M. Tolan, R. Winter, Protein-protein interactions in complex cosolvent solutions by synchrotron small-angle x-ray scattering in combination with liquid-state theoretical approaches. ChemPhysChem. 8, 679 (2007). |
| 84. | N. Javid, K. Vogtt, C. Krywka, M. Tolan, R. Winter, Capturing the interaction potential of amyloidogenic proteins. Phys. Rev. Lett. 99, 028101 (2007). |
| 83. | S. Peter, E. Weidner, Methanolysis of triacylglycerols by organic basic catalysts. Eur. J. Lipid Sci. Technol. 109, 11 (2007). |
| 82. | M. J. Venter, P. Willems, S. Kareth, E. Weidner, N.J.M. Kuipers, A. B. de Haan, Phase equilibria and physical properties of CO2-saturated cocoa butter mixtures at elevated pressures. J. Supercrit. Fluids 41, 195 (2007). |
| 81. | S. Streit, C. Gutt, V. Chamard, A. Robert, M. Sprung, H. Sternemann, M. Tolan, Two dimensional dynamics of metal nanoparticles on the surface of thin polymer films studied with coherent x-rays. Phys. Rev. Lett. 98, 047801 (2007). |
| 80. | O. Shekhah, H. Wang, S. Kowarik, F. Schreiber, M. Paulus, M. Tolan, C. Sternemann, F. Evers, D. Zacher, R. A. Fischer C. Wöll, Step-by-step route for the synthesis of metal organic frameworks. J. Am. Chem. Soc. 129, 15119 (2007). |
| 79. | H. M. Senn and W. Thiel, QM/MM Methods for Biological Systems. Top. Curr. Chem. 268, 173 (2007). |
| 78. | D. P. Geerke, S. Thiel, W. Thiel, W. F. van Gunsteren, Combined QM/MM Molecular Dynamics Study on a Condensed-Phase SN2 Reaction at Nitrogen: The Effect of Explicitly Including Solvent Polarization. J. Chem. Theory Comp. 3, 1499 (2007). |
| 77. | S. Piskunov, E. Spohr, T. Jacob, E. Kotomin, D. E. Ellis, Electronic and magnetic structure of La0.875Sr0.125MnO3 calculated by means of hybrid density functional theory. Phys. Rev. B 76, 012410 (2007). |
| 76. | C. Hartnig, J. Grimminger, E. Spohr, The role of water in the initial steps of methanol oxidation on Pt(211). Electrochim. Acta 52, 2236 (2007). |
| 75. | E. Spohr, Monte Carlo Simulations of a Simple Lattice Model of Polymer Electrolyte Membranes, J. Mol. Liq. 136, 288 (2007). |
| 74. | N. Li, X. Chen, L. Stoica, W. Xia, J. Qian, J. Aßmann, W. Schuhmann, M. Muhler, The catalytic synthesis of three-dimensional hierarchical carbon nanotube composites with high electrical conductivity based on electrochemical iron deposition. Adv. Mater. 19, 2957 (2007). |
| 73. | A. Schulte, W. Schuhmann, Single-Cell Microelectrochemistry. Angew. Chem. Int. Ed. 46, 8760 (2007). |
| 72. | A. Rumplecker, F. Kleitz, E.-L. Salabas, F. Schüth, Hard Templating Pathways for the Synthesis of Nanostructured Porous Co3O4. Chem. Mater. 19, 485 (2007). |
| 71. | A. Mardyukov, E. Sánchez, P. Rodziewicz, N. L. Doltsinis, W. Sander, Formamide dimers: a computational and matrix isolation study. J. Phys. Chem. A 111, 10552 (2007). |
| 70. | S. Venkataramani, M. Winkler, W. Sander, Trifluoro-1,3,5-tridehydrobenzene. Angew. Chem. Int. Ed. 47, 4888 (2007). |
| 69. | D. Meterc, M. Petermann, E. Weidner, Extraction of Green Tea and Drying with a High Pressure Spray Process Chemical Industry. J. Assoc. Chem. Engin. 61, 222 (2007). |
| 68. | Y. Wang, X. Xia, A. Urban, H. Qiu, J. Strunk, B. Meyer, M. Muhler, Ch. Wöll, Tuning the Reactivity of Oxide Surfaces by Charge-Accepting Adsorbates. Angew. Chem. Int. Ed. 46, 7319 (2007). |
| 67. | T. Timofte, S. Pitula, A.-V. Mudring, Ionic liquids with perfluorinated anion. Inorg. Chem. 46, 10938 (2007). |
| 66. | V. Simic-Milosevic, M. Mehlhorn, K.-H. Rieder, J. Meyer, K. Morgenstern, Electron induced orthometa isomerization of single molecules, Phys. Rev. Lett. 98, 116102 (2007). |
| 65. | G. Mathias, D. Marx, Structures and spectral signatures of protonated water networks in bacteriorhodopsin. Proc. Natl. Acad. Sci. U.S.A. 104, 6980 (2007). |
| 64. | J. Niklas, T. Schulte, S. Prakash, M. van Gastel, E. Hofmann, W. Lubitz, Spin-density distribution of the carotenoid triplet state in the Peridinin-Chlorophyll-Protein antenna. A Q-band pulse electron-nuclear double resonance and density functional theory study. J. Am. Chem. Soc. 129, 15442-15443 (2007). |
| 63. | A. Silakov, E. J. Reijerse, S. P. J. Albracht, E. C. Hatchikian, W. Lubitz, The electronic structure of the H-cluster in the [FeFe]-hydrogenase from Desulfovibrio desulfuricans. A Q-band 57Fe-ENDOR and HYSCORE study. J. Am. Chem. Soc. 129, 11447-11458 (2007). |
| 62. | L. V. Kulik, B. Epel, W. Lubitz, J. Messinger, Electronic Structure of the Mn4OxCa cluster in the S0 and S2 states of the oxygen-evolving complex of photosystem II based on pulse 55Mn-ENDOR spectroscopy. J. Am. Chem. Soc. 129, 13421-13435 (2007). |
| 61. | D. Constantinescu, H. Weingärtner, C. Herrmann, Protein Denaturation by Ionic Liquids and the Hofmeister Series: A Case Study of Aqueous Solutions of Ribonuclease A. Angew. Chem. Int. Ed. 46, 8887; Angew. Chem. 119, 9044 (2007). |
| 60. | D. P. Tew, W. Klopper, C. Neiss, C. Hättig, Quintuple-zeta quality coupled-cluster correlation energies with triple-zeta basis sets. Phys. Chem. Chem. Phys. 9, 1921 (2007). |
| 59. | T. Fleig, S. Knecht, C. Hättig, Quantum-chemical investigation of the structures and electronic spectra of the nucleic acid basis at the coupled cluster CC2 level. J. Phys. Chem. A 111, 5482- 5491 (2007). |
| 58. | S. Hermes, T. Witte, T. Hikov, D. Zacher, S. Bahnmüller, G. Langstein, K. Huber, and R. A. Fischer, Trapping Metal-Organic Framework Nanocrystals: An in-situ Time Resolved Light Scattering Study on the Crystal Growth of MOF-5 in Solution. J. Am. Chem. Soc. 129, 5324-5325 (2007). |
| 57. | D. Zacher, A. Baunemann, S. Hermes and R. A. Fischer, Deposition of microcrystalline [Cu3(btc)2] and [Zn2(bdc)2(dabco)] at alumina and silica surfaces modified with patterned self assembled organic monolayers: evidence of surface selective and oriented growth. J. Mater. Chem. 17, 2785-2792 (2007). |
| 56. | J. Behler, M. Parrinello, Generalized neural-network representation of high-dimensional potentialenergy surfaces. Phys. Rev. Lett. 98, 146401 (2007). |
| 55. | J. Behler, S. Lorenz, K. Reuter, Representing molecule-surface interactions with symmetryadapted neural networks. J. Chem. Phys. 127, 014705 (2007). |
| 54. | J. Behler, B. Delley, K. Reuter, M. Scheffler, Nonadiabatic potential-energy surfaces by constrained density-functional theory. Phys. Rev. B. 75, 115409 (2007). |
| 53. | M. Masia, H. Forbert, D. Marx, Connecting structure to infrared spectra of molecular and autodissociated HCl-water aggregates, J. Phys. Chem. A 111, 12181 (2007). |
| 52. | M. Ortlieb, Ö. Birer, M. Letzner, G.W. Schwaab, M. Havenith, Observation of ro-vibrational transitions of HCl, (HCl)2 and H2O-HCl in liquid He nanodroplets, J. Phys. Chem. A 111, 12192 (2007). |
| 51. | C. Gutt, M. Sprung, R. Fendt, A. Madsen, S. K. Sinha, and M. Tolan, Partially Wetting Thin Liquid Films: Structure and Dynamics Studied with Coherent X-Rays, Phys. Rev. Lett. 99, 096104-1-4 (2007). |
| 50. | A. Michaelides, K. Morgenstern, Ice nanoclusters at hydrophobic metal surfaces, Nat. Mat. 6, 597 (2007). |
| 49. | S. Ebbinghaus, S.J. Kim, M. Heyden, X. Yu, U. Heugen, M. Gruebele, D.M. Leitner, M. Havenith, An extended dynamical solvation shell around proteins, Proc. Natl. Acad. Sci. U.S.A. 104, 20749 (2007). |
| 48. | G. Mathias, D. Marx, Structures and spectral signatures of protonated water networks in bacteriorhodopsin, Proc. Natl. Acad. Sci. U.S.A. 104, 6980 (2007). |
| 47. | D. Constantinescu, H. Weingärtner, C. Herrmann, Protein denaturation by ionic liquids and the Hofmeister series: A case study of aqueous solutions of ribonuclease, Angew. Chem. Int. Ed. 46, 8887 (2007). |
| 46. | L.V. Kulik, B. Epel, W. Lubitz, J. Messinger, Electronic structure of the Mn4OxCa cluster in the S0 and S2 states of the oxygen-evolving complex of photosystem II based on pulse 55Mn ENDOR and EPR spectroscopy, J. Am. Chem. Soc. 129, 13421 (2007). |
| 45. | W. Lubitz, E. Reijerse, M. van Gastel, [NiFe] and [FeFe] hydrogenases studied by advanced magnetic resonance techniques, Chem. Rev. 107, 4331 (2007). |
| 44. | A. Chandra, M.E. Tuckerman, D. Marx, Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functions, Phys. Rev. Lett. 99, 145901-1- (2007). |
2006
| 43. | F. Claeyssens, J. N. Harvey, F. R. Manby, R. A. Mata, A. J. Mulholland, K. E. Ranaghan, M. Schütz, S. Thiel, W. Thiel, H.-J. Werner, High Accuracy Computation of Reaction Barriers in Enzymes. Angew. Chem. Int. Ed. 45, 6856 (2006). |
| 42. | M. Rohwerder, G.S. Frankel, P. Leblanc, M. Stratmann, Application of Scanning Kelvin Probe in corrosion science, in Methods for Corrosion Science and Engineering, F. Mansfeld, P. Marcus, Eds. Marcel Dekker, New York, 605 (2006). |
| 41. | S. Dokmaisrijan, E. Spohr, MD Simulations of Proton Transport along a Surface Decorated with Sulfonate Groups. J. Mol. Liq. 129, 92 (2006). |
| 40. | K. Eckhard, X. Chen, F. Turcu, W. Schuhmann, Redox-competition mode of scanning electrochemical microscopy (SECM) for visualisation of local catalytic activity. Phys. Chem. Chem. Phys. 8, 5359 (2006). |
| 39. | S. Isik, W. Schuhmann, Detection of nitric oxide release from single cells using constant distance mode scanning electrochemical microscopy. Angew. Chem. Int. Ed. 45, 7451 (2006). |
| 38. | M. Comotti, W.-C. Li, B. Spliethoff, F. Schüth, The support effect in high activity gold catalysts for CO oxidation. J. Am. Chem. Soc. 128, 917 (2006). |
| 37. | P. M. Arnal, M. Comotti, F. Schüth High temperature stable catalysts by hollow sphere encapsulation. Angew. Chem. Int. Ed. 45, 8224 (2006). |
| 36. | X. Xia, S. Litvinov, M. Muhler, Consistent Approach to Adsorption Thermodynamics on Heterogeneous Surfaces Using Different Empirical Energy Distribution Models. Langmuir 22, 8063 (2006). |
| 35. | R. Naumann d´Alnoncourt, X. Xia, J. Strunk, E. Löffler, O. Hinrichsen, M. Muhler, The influence of strongly reducing conditions on strong metal-support interactions in Cu/ZnO catalysts used for methanol synthesis. Phys. Chem. Chem. Phys. 8, 1525 (2006). |
| 34. | A. Babai, A.-V. Mudring, Crystal Engineering in ionic liquids. The crystal structures of [mppyr]3[NdI6] and [bmpyr]4[NdI6][Tf2N]. Inorg. Chem. 25, 4874 (2006). |
| 33. | J. Henzl, M. Mehlhorn, H. Gawronski, K.H. Rieder, K. Morgenstern, Reversible cis-trans Isomerization of a Single Azobenzene Molecule, Angew. Chem. Int. Ed. 45, 603 (2006). |
| 32. | B. List, J. W. Yang, The Organic Approach to Asymmetric Catalysis. Science 313, 1584 (2006). |
| 31. | A. Ghosh, G.J.K. Praefcke, L. Renault, A. Wittinghofer, C. Herrmann, How Guanylate Binding Proteins achieve assembly-stimulated processive cleavage of GTP to GMP. Nature 440, 101 (2006). |
| 30. | M. J. Paterson, O. Christiansen, F. Pawlowski, P. Jørgensen, C. Hättig, T. Helgaker, P. Salek, Benchmarking two-photon absorption with CC3 response theory, and comparison with densityfunctional response Theory. J. Chem. Phys. 124, 054322 (2006). |
| 29. | C Hättig, A. Hellweg, A. Köhn, Intramolecular charge-transfer mechanism in quinolidines: The role of the amino twist angle. J. Am. Chem. Soc. 128, 15672 (2006). |
| 28. | N. Colombo, J. Schroeder, C. Cabrele, A short Id2 protein fragment containing the nuclear export signal forms amyloid-like fibrils. Biochem. Biophys. Res. Commun. 346, 182 (2006). |
| 27. | J. Svobodová, C. Cabrele, Stepwise solid-phase-synthesis and spontaneous homo- dimerization of the helix-loop-helix protein Id3. ChemBioChem. 7, 1164 (2006). |
| 26. | S. Ebbinghaus, K. Schröck, J. C. Schauer, E. Bründermann, M. Heyden, G. Schwaab, M. Böke, J. Winter, M. Tani, M. Havenith. Terahertz time-domain spectroscopy as a new tool for the characterization of dust forming plasmas. Plasma Sources Sci. Technol. 15, 72-77 (2006). |
| 25. | I. Krossing, J. Slattery, C. Daguenet, P. Dyson, A. Oleinikova, H. Weingärtner, Why are ionic liquids liquid? A simple explanation based on lattice and solvation energies, J. Am. Chem. Soc. 128, 13427 (2006). |
| 24. | U. Heugen, G. Schwaab, E. Bründermann, M. Heyden, X. Yu, D.M. Leitner, M. Havenith, Solute-induced retardation of water dynamics probed directly by THz spectroscopy, Proc. Natl. Acad. Sci. U.S.A. 103, 12301 (2006). |
| 23. | C. Kolano, J Helbing, M. Kozinski, W. Sander, P. Hamm, Ultrafast β-turn opening observed by transient 2D–IR spectroscopy, Nature 444, 469 (2006). |
| 22. | S. Mayer, B. List, Asymmetric Counteranion-Directed Catalysis. Angew. Chem. Int. Ed. 45, 4193 (2006). |
| 21. | K. Wapner, M. Stratmann, G. Grundmeier, In-situ Infrared Spectroscopic and Scanning Kelvin Probe Measurements of Water and Ion Transport Kinetics at Polymer/Metal Interfaces. Electrochim. Acta 51, 3303 (2006). |
2005
| 20. | A. Oleinikova, I. Brovchenko, N. Smolin, A. Krukau, A. Geiger, R. Winter, Percolation transition of hydration water: From planar hydrophilic surfaces to proteins. Phys. Rev. Lett. 95, 247802 (2005). |
| 19. | Y-S. Seo, T. Koga, J. Sokolov, M.H. Rafailovich, M. Tolan, S. Sinha, Deviations from Liquidlike Behavior in Molten Polymer Films at Interfaces. Phys. Rev. Lett. 94, 15780 (2005). |
| 18. | S. Shaik, D. Kumar, S. P. de Visser, A. Altun, W. Thiel, A Theoretical Perspective on Structure and Mechanism of Cytochrome P450 Enzymes. Chem. Rev. 105, 2279 (2005). |
| 17. | K. Wapner, B. Schönberger, M. Stratmann, G. Grundmeier, Applications of a new height regulated Scanning Kelvin Probe in Adhesion and Corrosion Science. J. Electrochem. Soc. 152, 3 (2005). |
| 16. | G. Grundmeier, M. Stratmann, Adhesion and de-adhesion processes at polymer/metal interfaces. Annu. Rev. Mater. Res. 35, 571 (2005). |
| 15. | T. Weißert, M. Petermann, H.-W. Lösch, F. Dreisbach, M. Uerdingen, Measurement of the selective sorption on Hexafluorophosphate and Ethylsulphate (ECOENG 212) in CH4/CO2 mixtures up to 13 MPa. Paper presented at the 1st International Congress on Ionic Liquids, Salzburg (2005). |
| 14. | M. Kurtz, J. Strunk, O. Hinrichsen, M. Muhler, K. Fink, B. Meyer, Ch. Wöll, Active Sites on Oxide Surfaces: ZnO-Catalyzed Synthesis of Methanol from CO and H2. Angew. Chem. Int. Ed. 44, 2790 (2005). |
| 13. | A.-V. Mudring, A. Babai, S. Arenz, R. Giernoth, The “Non-coordinating“ anion Tf2N– Coordinates to Yb2+: A Structurally characterized Tf2N– Complex from the Ionic Liquid [mppyr][Tf2N]. Angew. Chem. Int. Ed. 44, 5485 (2005). |
| 12. | O. Asvany, P. Kumar, B. Redlich, I. Hegemann, S. Schlemmer, D. Marx, Understanding the Infrared Spectrum of Bare CH5 +. Science 309, 1219 (2005). |
| 11. | H. Langer, N.L. Doltsinis, D. Marx, Excited-State Dynamics and Coupled Proton- Electron Transfer of Guanine: From the Gas Phase via Microsolvation to Aqueous Solution. ChemPhysChem. 6, 1734 (2005). |
| 10. | C. Hättig, Structure optimization for excited states with correlated second-order methods: CC2 and ADC(2), Adv. Quant. Chem. 50, 37 (2005). |
| 9. | H. Fliegl, W. Klopper, C. Hättig, Coupled-cluster theory with simplified linear-r12 corrections: The CCSD(R12) model. J. Chem. Phys. 122, 084107 (2005). |
| 8. | S. Hermes, F. Schröder, R. Chelmowski, C. Wöll, R. A. Fischer, Selective Nucleation and Growth of Metal-Organic Open Framework Thin Films on Patterned COOH/CF3-Terminated Self-Assembled Monolayers on Au(111). J. Am. Chem. Soc. 127, 13744-13745 (2005). |
| 7. | S. Hermes, M.-K. Schröter, R. Schmid, L. Khodeir, M. Muhler, A. Tissler, R. W. Fischer, R. A. Fischer, Metal@MOF: Loading of highly porous coordination polymers host lattices by metal organic chemical vapor deposition. Angew. Chem. Int. Ed. 44, 6237-6241 (2005). |
| 6. | C. Ratsch, A. Fielicke, A. Kirilyuk, J. Behler, G. von Helden, G. Meijer, M. Scheffler, Structure determination of small vanadium clusters by density-functional theory in comparison with experimental far-infrared spectra. J. Chem. Phys. 122, 124302 (2005). |
| 5. | S. D. Kiewitz, C. Cabrele, Synthesis and conformational properties of protein fragments based on the Id family of DNA-binding and cell-differentiation inhibitors. Biopolymers (Peptide Sci.) 80, 762 (2005). |
| 4. | J. Behler, B. Delley, S. Lorenz, K. Reuter, M. Scheffler, Dissociation of O2 at Al (111): The role of spin selection rules. Phys. Rev. Lett. 94, 036104 (2005). |
| 3. | H. Weingärtner, E.U. Franck, Supercritical water as a solvent, Angew. Chem. Int. Ed. 44, 2672 (2005). |
| 2. | O. Asvany, P. Kumar-P., B. Redlich, I. Hegemann, S. Schlemmer, D. Marx, Understanding the Infrared Spectrum of Bare CH5+ , Science 309, 1219 (2005). |
| 1. | A.L. Sobolewski, W. Domcke, C. Hättig, Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: The role of electron-driven proton-transfer processes. Proc. Nat. Acad. Sci. U.S.A. 102, 17903 (2005) |