@article{AllanManningAltetal.2015,
  author    = {Allan, Eric and Manning, Pete and Alt, Fabian and Binkenstein, Julia and Blaser, Stefan and Bl{\"u}thgen, Nico and B{\"o}hm, Stefan and Grassein, Fabrice and H{\"o}lzel, Norbert and Klaus, Valentin H. and Kleinebecker, Till and Morris, E. Kathryn and Oelmann, Yvonne and Prati, Daniel and Renner, Swen C. and Rillig, Matthias C. and Schaefer, Martin and Schloter, Michael and Schmitt, Barbara and Sch{\"o}ning, Ingo and Schrumpf, Marion and Solly, Emily and Sorkau, Elisabeth and Steckel, Juliane and Steffen-Dewenter, Ingolf and Stempfhuber, Barbara and Tschapka, Marco and Weiner, Christiane N. and Weisser, Wolfgang W. and Werner, Michael and Westphal, Catrin and Wilcke, Wolfgang and Fischer, Markus},
  title     = {Land use intensification alters ecosystem multifunctionality via loss of biodiversity and changes to functional composition},
  series = {Ecology letters},
  volume    = {18},
  journal   = {Ecology letters},
  number    = {8},
  publisher = {Wiley-Blackwell},
  address   = {Hoboken},
  issn      = {1461-023X},
  doi       = {10.1111/ele.12469},
  pages     = {834 -- 843},
  year      = {2015},
  abstract  = {Global change, especially land-use intensification, affects human well-being by impacting the delivery of multiple ecosystem services (multifunctionality). However, whether biodiversity loss is a major component of global change effects on multifunctionality in real-world ecosystems, as in experimental ones, remains unclear. Therefore, we assessed biodiversity, functional composition and 14 ecosystem services on 150 agricultural grasslands differing in land-use intensity. We also introduce five multifunctionality measures in which ecosystem services were weighted according to realistic land-use objectives. We found that indirect land-use effects, i.e. those mediated by biodiversity loss and by changes to functional composition, were as strong as direct effects on average. Their strength varied with land-use objectives and regional context. Biodiversity loss explained indirect effects in a region of intermediate productivity and was most damaging when land-use objectives favoured supporting and cultural services. In contrast, functional composition shifts, towards fast-growing plant species, strongly increased provisioning services in more inherently unproductive grasslands.},
  language  = {en}
}
@article{SoliveresvanderPlasManningetal.2016,
  author    = {Soliveres, Santiago and van der Plas, Fons and Manning, Peter and Prati, Daniel and Gossner, Martin M. and Renner, Swen C. and Alt, Fabian and Arndt, Hartmut and Baumgartner, Vanessa and Binkenstein, Julia and Birkhofer, Klaus and Blaser, Stefan and Bl{\"u}thgen, Nico and Boch, Steffen and B{\"o}hm, Stefan and B{\"o}rschig, Carmen and Buscot, Francois and Diek{\"o}tter, Tim and Heinze, Johannes and H{\"o}lzel, Norbert and Jung, Kirsten and Klaus, Valentin H. and Kleinebecker, Till and Klemmer, Sandra and Krauss, Jochen and Lange, Markus and Morris, E. Kathryn and M{\"u}ller, J{\"o}rg and Oelmann, Yvonne and Overmann, J{\"o}rg and Pasalic, Esther and Rillig, Matthias C. and Schaefer, H. Martin and Schloter, Michael and Schmitt, Barbara and Sch{\"o}ning, Ingo and Schrumpf, Marion and Sikorski, Johannes and Socher, Stephanie A. and Solly, Emily F. and Sonnemann, Ilja and Sorkau, Elisabeth and Steckel, Juliane and Steffan-Dewenter, Ingolf and Stempfhuber, Barbara and Tschapka, Marco and T{\"u}rke, Manfred and Venter, Paul C. and Weiner, Christiane N. and Weisser, Wolfgang W. and Werner, Michael and Westphal, Catrin and Wilcke, Wolfgang and Wolters, Volkmar and Wubet, Tesfaye and Wurst, Susanne and Fischer, Markus and Allan, Eric},
  title     = {Biodiversity at multiple trophic levels is needed for ecosystem multifunctionality},
  series = {Nature : the international weekly journal of science},
  volume    = {536},
  journal   = {Nature : the international weekly journal of science},
  publisher = {Nature Publ. Group},
  address   = {London},
  issn      = {0028-0836},
  doi       = {10.1038/nature19092},
  pages     = {456 -- +},
  year      = {2016},
  language  = {en}
}
@misc{SturzbecherSchmittRumpRaeuber2002,
  author    = {Sturzbecher, Dietmar and Schmitt, Michael and Rump-R{\"a}uber, Michael},
  title     = {Extrem rechts in Deutschland},
  series = {Wochenschau f{\"u}r politische Erziehung, Sozial- und Gemeinschaftskunde : Ausg. Sek I + II},
  volume    = {53, 2002},
  journal   = {Wochenschau f{\"u}r politische Erziehung, Sozial- und Gemeinschaftskunde : Ausg. Sek I + II},
  publisher = {Wochenschau-Verl.},
  address   = {Schwalbach/Ts.},
  isbn      = {978-3-87929-809-8},
  pages     = {74 S.},
  year      = {2002},
  language  = {de}
}
@article{SoliveresManningPratietal.2016,
  author    = {Soliveres, Santiago and Manning, Peter and Prati, Daniel and Gossner, Martin M. and Alt, Fabian and Arndt, Hartmut and Baumgartner, Vanessa and Binkenstein, Julia and Birkhofer, Klaus and Blaser, Stefan and Bluethgen, Nico and Boch, Steffen and Boehm, Stefan and Boerschig, Carmen and Buscot, Francois and Diekoetter, Tim and Heinze, Johannes and Hoelzel, Norbert and Jung, Kirsten and Klaus, Valentin H. and Klein, Alexandra-Maria and Kleinebecker, Till and Klemmer, Sandra and Krauss, Jochen and Lange, Markus and Morris, E. Kathryn and Mueller, Joerg and Oelmann, Yvonne and Overmann, J{\"o}rg and Pasalic, Esther and Renner, Swen C. and Rillig, Matthias C. and Schaefer, H. Martin and Schloter, Michael and Schmitt, Barbara and Schoening, Ingo and Schrumpf, Marion and Sikorski, Johannes and Socher, Stephanie A. and Solly, Emily F. and Sonnemann, Ilja and Sorkau, Elisabeth and Steckel, Juliane and Steffan-Dewenter, Ingolf and Stempfhuber, Barbara and Tschapka, Marco and Tuerke, Manfred and Venter, Paul and Weiner, Christiane N. and Weisser, Wolfgang W. and Werner, Michael and Westphal, Catrin and Wilcke, Wolfgang and Wolters, Volkmar and Wubet, Tesfaye and Wurst, Susanne and Fischer, Markus and Allan, Eric},
  title     = {Locally rare species influence grassland ecosystem multifunctionality},
  series = {Philosophical transactions of the Royal Society of London : B, Biological sciences},
  volume    = {371},
  journal   = {Philosophical transactions of the Royal Society of London : B, Biological sciences},
  publisher = {Royal Society},
  address   = {London},
  issn      = {0962-8436},
  doi       = {10.1098/rstb.2015.0269},
  pages     = {3175 -- 3185},
  year      = {2016},
  abstract  = {Species diversity promotes the delivery of multiple ecosystem functions (multifunctionality). However, the relative functional importance of rare and common species in driving the biodiversity multifunctionality relationship remains unknown. We studied the relationship between the diversity of rare and common species (according to their local abundances and across nine different trophic groups), and multifunctionality indices derived from 14 ecosystem functions on 150 grasslands across a land use intensity (LUI) gradient. The diversity of above- and below-ground rare species had opposite effects, with rare above-ground species being associated with high levels of multifunctionality, probably because their effects on different functions did not trade off against each other. Conversely, common species were only related to average, not high, levels of multifunctionality, and their functional effects declined with LUI. Apart from the community level effects of diversity, we found significant positive associations between the abundance of individual species and multifunctionality in 6\% of the species tested. Species specific functional effects were best predicted by their response to LUI: species that declined in abundance with land use intensification were those associated with higher levels of multifunctionality. Our results highlight the importance of rare species for ecosystem multifunctionality and help guiding future conservation priorities.},
  language  = {en}
}
@article{EhmannZollerMinichmayretal.2017,
  author    = {Ehmann, Lisa and Zoller, Michael and Minichmayr, Iris K. and Scharf, Christina and Maier, Barbara and Schmitt, Maximilian V. and Hartung, Niklas and Huisinga, Wilhelm and Vogeser, Michael and Frey, Lorenz and Zander, Johannes and Kloft, Charlotte},
  title     = {Role of renal function in risk assessment of target non-attainment after standard dosing of meropenem in critically ill patients},
  series = {Critical care},
  volume    = {21},
  journal   = {Critical care},
  publisher = {BioMed Central},
  address   = {London},
  issn      = {1466-609X},
  doi       = {10.1186/s13054-017-1829-4},
  pages     = {14},
  year      = {2017},
  abstract  = {Background: Severe bacterial infections remain a major challenge in intensive care units because of their high prevalence and mortality. Adequate antibiotic exposure has been associated with clinical success in critically ill patients. The objective of this study was to investigate the target attainment of standard meropenem dosing in a heterogeneous critically ill population, to quantify the impact of the full renal function spectrum on meropenem exposure and target attainment, and ultimately to translate the findings into a tool for practical application. Methods: A prospective observational single-centre study was performed with critically ill patients with severe infections receiving standard dosing of meropenem. Serial blood samples were drawn over 4 study days to determine meropenem serum concentrations. Renal function was assessed by creatinine clearance according to the Cockcroft and Gault equation (CLCRCG). Variability in meropenem serum concentrations was quantified at the middle and end of each monitored dosing interval. The attainment of two pharmacokinetic/pharmacodynamic targets (100\% T->MIC, 50\% T->4xMIC) was evaluated for minimum inhibitory concentration (MIC) values of 2 mg/L and 8 mg/L and standard meropenem dosing (1000 mg, 30-minute infusion, every 8 h). Furthermore, we assessed the impact of CLCRCG on meropenem concentrations and target attainment and developed a tool for risk assessment of target non-attainment. Results: Large inter-and intra-patient variability in meropenem concentrations was observed in the critically ill population (n = 48). Attainment of the target 100\% T->MIC was merely 48.4\% and 20.6\%, given MIC values of 2 mg/L and 8 mg/L, respectively, and similar for the target 50\% T->4xMIC. A hyperbolic relationship between CLCRCG (25-255 ml/minute) and meropenem serum concentrations at the end of the dosing interval (C-8h) was derived. For infections with pathogens of MIC 2 mg/L, mild renal impairment up to augmented renal function was identified as a risk factor for target non-attainment (for MIC 8 mg/L, additionally, moderate renal impairment). Conclusions: The investigated standard meropenem dosing regimen appeared to result in insufficient meropenem exposure in a considerable fraction of critically ill patients. An easy-and free-to-use tool (the MeroRisk Calculator) for assessing the risk of target non-attainment for a given renal function and MIC value was developed.},
  language  = {en}
}
@book{SchmittDogerlohNiedermeieretal.2004,
  author    = {Schmitt, Hanno and Dogerloh, Annette and Niedermeier, Michael and Siebrecht, Silke},
  title     = {Leben, Lust und Tod in G{\"a}rten um 1800 : [Begleitbuch zur Ausstellung im Rochow-Museum Reckahn vom 29. August bis 28 November 2004]},
  publisher = {Rochow-Museum und Akad. f{\"u}r Bildungsgeschichtliche Forschung},
  address   = {Berlin},
  isbn      = {3-9809752-0-7},
  pages     = {71 S.},
  year      = {2004},
  language  = {de}
}
@misc{ProeveKrollAscheetal.2001,
  author    = {Pr{\"o}ve, Ralf and Kroll, Stefan and Asche, Matthias and Heinecke, Anne and Huhtamies, Mikko and Marschke, Benjamin and Gr{\"a}f, Holger Th. and Reimer, Torsten F. and Schmitt, Bernhard and Muth, J{\"o}rg and Reiff, Michael and Gebuhr, Ralf and Martin, Alexander M. and Krebs, Daniel},
  title     = {Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit},
  volume    = {5},
  number    = {1},
  organization    = {Arbeitskreis Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit e.V. (Hrsg.)},
  issn      = {1617-9722},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-28135},
  year      = {2001},
  abstract  = {Aus dem Inhalt dieser Ausgabe: BEITRAG: Ralf Pr{\"o}ve: Vom Schmuddelkind zur anerkannten Subdisziplin?1Die „neue Milit{\"a}rgeschichte" der Fr{\"u}hen Neuzeitund der AMG PROJEKTE: Stefan Kroll: Kurs{\"a}chsische Soldaten im 18. Jahrhundert (1728-1789) Matthias Asche: Neusiedler im verheerten Land -Kriegsfolgenbew{\"a}ltigung, Landeswiederaufbau undMigration in der Mark Brandenburg und in Badennach den Kriegen des 17. Jahrhunderts Anne Heinecke: Wahrnehmung und Darstellungvon Pl{\"u}nderung im 17. Jahrhundertim Spiegel von Selbstzeugnissen Milit{\"a}rangeh{\"o}riger Mikko Huhtamies: Ersatzsoldaten in Europa in der Fr{\"u}hen Neuzeit Benjamin MarschkeThe Development of the Army Chaplaincy inEarly Eighteenth-Century Prussia Holger Th. Gr{\"a}f: Valentin Wagner - Zeichnungen aus der Zeit desDreißigj{\"a}hrigen Krieges Torsten F. Reimer: magi-e - integriertes Publizierenin der Geschichtswissenschaft Bernhard Schmitt: Milit{\"a}r und Integration im 19. Jahrhundert -Zur Bedeutung und Funktion der Armeebei der Eingliederung neuer Bev{\"o}lkerungsgruppenin Preußen und der Habsburgermonarchie 1815-1867 J{\"o}rg Muth: Flucht aus dem milit{\"a}rischen AlltagUrsachen und individuelle Auspr{\"a}gung der Desertionin der Armee Friedrichs des Großen Michael Reiff: Strandgut des Krieges: Die soziale Lage Kriegsversehrterin den deutschen Armeen des Absolutismusund der napoleonischen Zeit ( 1648 - 1815 ) Ralf Gebuhr: Nickel von Minckwitzund der fr{\"u}hneuzeitliche Schlossbauin der Niederlausitz Alexander M. Martin: Die Napoleonische Okkupation Moskaus 1812 Daniel Krebs: Deutsche Kriegsgefangeneim Amerikanischen Unabh{\"a}ngigkeitskrieg BERICHTE: REZENSIONEN:},
  subject      = {Milit{\"a}r / Geschichte},
  language  = {de}
}
@article{SunHenniesPietzschetal.2011,
  author    = {Sun, Y. -P. and Hennies, Franz and Pietzsch, Annette and Kennedy, B. and Schmitt, Thorsten and Strocov, Vladimir N. and Andersson, Joakim and Berglund, Martin and Rubensson, Jan-Erik and Aidas, K. and Gel'mukhanov, F. and Odelius, Michael and F{\"o}hlisch, Alexander},
  title     = {Intramolecular soft modes and intermolecular interactions in liquid acetone},
  series = {Physical review : B, Condensed matter and materials physics},
  volume    = {84},
  journal   = {Physical review : B, Condensed matter and materials physics},
  number    = {13},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {1098-0121},
  doi       = {10.1103/PhysRevB.84.132202},
  pages     = {4},
  year      = {2011},
  abstract  = {Resonant inelastic x-ray scattering spectra excited at the O1s(-1)pi* resonance of liquid acetone are presented. Scattering to the electronic ground state shows a resolved vibrational progression where the dominant contribution is due to the C-O stretching mode, thus demonstrating a unique sensitivity of the method to the local potential energy surface in complex molecular systems. For scattering to electronically excited states, soft vibrational modes and, to a smaller extent, intermolecular interactions give a broadening, which blurs the vibrational fine structure. It is predicted that environmental broadening is dominant in aqueous acetone.},
  language  = {en}
}
@article{ToySutherlandTownendetal.2017,
  author    = {Toy, Virginia Gail and Sutherland, Rupert and Townend, John and Allen, Michael J. and Becroft, Leeza and Boles, Austin and Boulton, Carolyn and Carpenter, Brett and Cooper, Alan and Cox, Simon C. and Daube, Christopher and Faulkner, D. R. and Halfpenny, Angela and Kato, Naoki and Keys, Stephen and Kirilova, Martina and Kometani, Yusuke and Little, Timothy and Mariani, Elisabetta and Melosh, Benjamin and Menzies, Catriona D. and Morales, Luiz and Morgan, Chance and Mori, Hiroshi and Niemeijer, Andre and Norris, Richard and Prior, David and Sauer, Katrina and Schleicher, Anja Maria and Shigematsu, Norio and Teagle, Damon A. H. and Tobin, Harold and Valdez, Robert and Williams, Jack and Yeo, Samantha and Baratin, Laura-May and Barth, Nicolas and Benson, Adrian and Boese, Carolin and C{\´e}l{\´e}rier, Bernard and Chamberlain, Calum J. and Conze, Ronald and Coussens, Jamie and Craw, Lisa and Doan, Mai-Linh and Eccles, Jennifer and Grieve, Jason and Grochowski, Julia and Gulley, Anton and Howarth, Jamie and Jacobs, Katrina and Janku-Capova, Lucie and Jeppson, Tamara and Langridge, Robert and Mallyon, Deirdre and Marx, Ray and Massiot, C{\´e}cile and Mathewson, Loren and Moore, Josephine and Nishikawa, Osamu and Pooley, Brent and Pyne, Alex and Savage, Martha K. and Schmitt, Doug and Taylor-Offord, Sam and Upton, Phaedra and Weaver, Konrad C. and Wiersberg, Thomas and Zimmer, Martin},
  title     = {Bedrock geology of DFDP-2B, central Alpine Fault, New Zealand},
  series = {New Zealand journal of geology and geophysics : an international journal of the geoscience of New Zealand, the Pacific Rim, and Antarctica ; NZJG},
  volume    = {60},
  journal   = {New Zealand journal of geology and geophysics : an international journal of the geoscience of New Zealand, the Pacific Rim, and Antarctica ; NZJG},
  number    = {4},
  publisher = {Taylor \& Francis},
  address   = {Abingdon},
  organization    = {DFDP-2 Sci Team},
  issn      = {0028-8306},
  doi       = {10.1080/00288306.2017.1375533},
  pages     = {497 -- 518},
  year      = {2017},
  abstract  = {During the second phase of the Alpine Fault, Deep Fault Drilling Project (DFDP) in the Whataroa River, South Westland, New Zealand, bedrock was encountered in the DFDP-2B borehole from 238.5-893.2 m Measured Depth (MD). Continuous sampling and meso- to microscale characterisation of whole rock cuttings established that, in sequence, the borehole sampled amphibolite facies, Torlesse Composite Terrane-derived schists, protomylonites and mylonites, terminating 200-400 m above an Alpine Fault Principal Slip Zone (PSZ) with a maximum dip of 62°. The most diagnostic structural features of increasing PSZ proximity were the occurrence of shear bands and reduction in mean quartz grain sizes. A change in composition to greater mica:quartz + feldspar, most markedly below c. 700 m MD, is inferred to result from either heterogeneous sampling or a change in lithology related to alteration. Major oxide variations suggest the fault-proximal Alpine Fault alteration zone, as previously defined in DFDP-1 core, was not sampled.},
  language  = {en}
}
@misc{DlugaiczykBlastenbreiHaasetal.2003,
  author    = {Dlugaiczyk, Martina and Blastenbrei, Peter and Haas, Hagen and Schmitt, Bernhard and P{\"u}hringer, Andrea and Reimer, Torsten and Schreiter, Ren{\´e} and Podruczny, Grzegorz and Huntebrinker, Jan Willem and Mehrkens, Heidi and K{\"o}rber, Esther-Beate and G{\"o}se, Frank and Feistauer, Daniela and Muth, J{\"o}rg and Busch, Michael and Krebs, Daniel and Luh, J{\"u}rgen and Ludwig, Ulrike},
  title     = {Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit},
  volume    = {7},
  number    = {1},
  organization    = {Arbeitskreis Milit{\"a}r und Gesellschaft in der Fr{\"u}hen Neuzeit e.V. (Hrsg.)},
  issn      = {1617-9722},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-28093},
  year      = {2003},
  abstract  = {Aus dem Inhalt dieser Ausgabe: BEITR{\"A}GE: Martina Dlugaiczyk: Der Waffenstillstand (1609-1621) als Medienereignis Peter Blastenbrei: Literaten und Soldaten (Teil 2) Hagen Haas: "Denn die Bombe, wann sie f{\"a}llt ..." PROJEKTE: Bernhard Schmitt: "... eine ausgedehnte Gelegenheit zu einer ordentlichen Versorgung und besseren Fortkommen in dem Milit{\"a}rdienste" Andrea P{\"u}hringer: Die Darstellung von -Gewalt- im Krieg Torsten Reimer: Armada und Seeschlacht Ren{\´e} Schreiter: Das Große Milit{\"a}rwaisenhaus zu Potsdam Grzegorz Podruczny: Preußische Milit{\"a}rarchitektur in Schlesien Jan Willem Huntebrinker: "Von der landsknecht lumphosen" BERICHTE: Heidi Mehrkens: Besatzung, Funktion und Gestalt milit{\"a}rischer Fremdherrschaft Esther-Beate K{\"o}rber: Bericht {\"u}ber die Tagung der Arbeitsgemeinschaft zur preußischen Geschichte REZENSIONEN: Frank G{\"o}se: Dreißigj{\"a}hriger Krieg und Westf{\"a}lischer Friede. Forschungen aus westf{\"a}lischen Adelsarchiven. Vortr{\"a}ge auf dem Kolloquium der Vereinigten Westf{\"a}lischen Adelsarchive e. V. vom 3.-4. Dezember 1998 in M{\"u}nster, Selbstverlag der Vereinigten Westf{\"a}lischen Adelsarchive e. V. 2000 Daniela Feistauer: Karen Hagemann, "Mannlicher Muth und Teutsche Ehre". Nation, Milit{\"a}r und Geschlecht zur Zeit der Antinapo-leonischen Kriege Preußens, Paderborn, M{\"u}nchen, Wien, Z{\"u}rich: Ferdinand Sch{\"o}ningh 2002 J{\"o}rg Muth: Das Heerwesen in Brandenburg und Preußen von 1640 bis 1806. Bd. 1: Olaf Groehler, Das Heerwesen, 2. Aufl., Berlin: Brandenburgisches Verlaghaus 2001 Michael Busch: Annette Hempel, "Eigentlicher Bericht / So wol auch Abkontra-feytung." Eine Untersuchung der nicht-allegorischen Nach-richtenbl{\"a}tter zu den Schlachten und Belagerungen der schwedischen Armee unter Gustav II Adolf (1628/30-1632), Frankfurt a. M.: Peter Lang Verlag 2000 Daniel Krebs: Michael Zimmer's Diary. Ein deutsches Tagebuch aus dem Amerikanischen B{\"u}rgerkrieg, hrsg. von J{\"u}rgen Macha und Andrea Wolf, Frankfurt am Main, Berlin u. a.: Peter Lang Verlag 2001 J{\"u}rgen Luh: Michael Hochedlinger, Krise und Wiederherstellung. {\"O}ster-reichische Großmachtpolitik zwischen T{\"u}rkenkrieg und "Zweiter Diplomatischer Revolution" 1787-1791, Berlin Duncker \& Humblot 2000 Ulrike Ludwig: Sine ira et studio. Milit{\"a}rhistorische Studien zur Erinnerung an Hans Schmidt, hrsg. von Uta Lindgren, Karl Schnith und Jakob Seibert, Kallm{\"u}nz/OPF.: Verlag Michael Lassleben 2001},
  subject      = {Milit{\"a}r / Geschichte},
  language  = {de}
}
@article{VazdaCruzErtanCoutoetal.2017,
  author    = {Vaz da Cruz, Vinicius and Ertan, Emelie and Couto, Rafael C. and Eckert, Sebastian and Fondell, Mattis and Dantz, Marcus and Kennedy, Brian and Schmitt, Thorsten and Pietzsch, Annette and Guimaraes, Freddy F. and {\AA}gren, Hans and Odelius, Michael and F{\"o}hlisch, Alexander and Kimberg, Victor},
  title     = {A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {19},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c7cp01215b},
  pages     = {19573 -- 19589},
  year      = {2017},
  abstract  = {In this combined theoretical and experimental study we report a full analysis of the resonant inelastic X-ray scattering (RIXS) spectra of H2O, D2O and HDO. We demonstrate that electronically-elastic RIXS has an inherent capability to map the potential energy surface and to perform vibrational analysis of the electronic ground state in multimode systems. We show that the control and selection of vibrational excitation can be performed by tuning the X-ray frequency across core-excited molecular bands and that this is clearly reflected in the RIXS spectra. Using high level ab initio electronic structure and quantum nuclear wave packet calculations together with high resolution RIXS measurements, we discuss in detail the mode coupling, mode localization and anharmonicity in the studied systems.},
  language  = {en}
}
@article{VazdaCruzEckertIannuzzietal.2019,
  author    = {Vaz da Cruz, Vinicius and Eckert, Sebastian and Iannuzzi, Marcella and Ertan, Emelie and Pietzsch, Annette and Couto, Rafael C. and Niskanen, Johannes and Fondell, Mattis and Dantz, Marcus and Schmitt, Thorsten and Lu, Xingye and McNally, Daniel and Jay, Raphael Martin and Kimberg, Victor and F{\"o}hlisch, Alexander and Odelius, Michael},
  title     = {Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering},
  series = {Nature Communications},
  volume    = {10},
  journal   = {Nature Communications},
  publisher = {Nature Publ. Group},
  address   = {London},
  issn      = {2041-1723},
  doi       = {10.1038/s41467-019-08979-4},
  pages     = {9},
  year      = {2019},
  abstract  = {Local probes of the electronic ground state are essential for understanding hydrogen bonding in aqueous environments. When tuned to the dissociative core-excited state at the O1s pre-edge of water, resonant inelastic X-ray scattering back to the electronic ground state exhibits a long vibrational progression due to ultrafast nuclear dynamics. We show how the coherent evolution of the OH bonds around the core-excited oxygen provides access to high vibrational levels in liquid water. The OH bonds stretch into the long-range part of the potential energy curve, which makes the X-ray probe more sensitive than infra-red spectroscopy to the local environment. We exploit this property to effectively probe hydrogen bond strength via the distribution of intramolecular OH potentials derived from measurements. In contrast, the dynamical splitting in the spectral feature of the lowest valence-excited state arises from the short-range part of the OH potential curve and is rather insensitive to hydrogen bonding.},
  language  = {en}
}
@article{EckertVazdaCruzErtanetal.2018,
  author    = {Eckert, Sebastian and Vaz da Cruz, Vinicius and Ertan, Emelie and Ignatova, Nina and Polyutov, Sergey and Couto, Rafael C. and Fondell, Mattis and Dantz, Marcus and Kennedy, Brian and Schmitt, Thorsten and Pietzsch, Annette and Odelius, Michael and F{\"o}hlisch, Alexander},
  title     = {One-dimensional cuts through multidimensional potential-energy surfaces by tunable x rays},
  series = {Physical review : A, Atomic, molecular, and optical physics},
  volume    = {97},
  journal   = {Physical review : A, Atomic, molecular, and optical physics},
  number    = {5},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2469-9926},
  doi       = {10.1103/PhysRevA.97.053410},
  pages     = {7},
  year      = {2018},
  abstract  = {The concept of the potential-energy surface (PES) and directional reaction coordinates is the backbone of our description of chemical reaction mechanisms. Although the eigenenergies of the nuclear Hamiltonian uniquely link a PES to its spectrum, this information is in general experimentally inaccessible in large polyatomic systems. This is due to (near) degenerate rovibrational levels across the parameter space of all degrees of freedom, which effectively forms a pseudospectrum given by the centers of gravity of groups of close-lying vibrational levels. We show here that resonant inelastic x-ray scattering (RIXS) constitutes an ideal probe for revealing one-dimensional cuts through the ground-state PES of molecular systems, even far away from the equilibrium geometry, where the independent-mode picture is broken. We strictly link the center of gravity of close-lying vibrational peaks in RIXS to a pseudospectrum which is shown to coincide with the eigenvalues of an effective one-dimensional Hamiltonian along the propagation coordinate of the core-excited wave packet. This concept, combined with directional and site selectivity of the core-excited states, allows us to experimentally extract cuts through the ground-state PES along three complementary directions for the showcase H2O molecule.},
  language  = {en}
}
@article{ErtanSavchenkoIgnatovaetal.2018,
  author    = {Ertan, Emelie and Savchenko, Viktoriia and Ignatova, Nina and Vaz da Cruz, Vinicius and Couto, Rafael C. and Eckert, Sebastian and Fondell, Mattis and Dantz, Marcus and Kennedy, Brian and Schmitt, Thorsten and Pietzsch, Annette and F{\"o}hlisch, Alexander and Odelius, Michael and Kimberg, Victor},
  title     = {Ultrafast dissociation features in RIXS spectra of the water molecule},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {20},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {21},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c8cp01807c},
  pages     = {14384 -- 14397},
  year      = {2018},
  abstract  = {In this combined theoretical and experimental study we report on an analysis of the resonant inelastic X-ray scattering (RIXS) spectra of gas phase water via the lowest dissociative core-excited state |1s-1O4a11〉. We focus on the spectral feature near the dissociation limit of the electronic ground state. We show that the narrow atomic-like peak consists of the overlapping contribution from the RIXS channels back to the ground state and to the first valence excited state |1b-114a11〉 of the molecule. The spectral feature has signatures of ultrafast dissociation (UFD) in the core-excited state, as we show by means of ab initio calculations and time-dependent nuclear wave packet simulations. We show that the electronically elastic RIXS channel gives substantial contribution to the atomic-like resonance due to the strong bond length dependence of the magnitude and orientation of the transition dipole moment. By studying the RIXS for an excitation energy scan over the core-excited state resonance, we can understand and single out the molecular and atomic-like contributions in the decay to the lowest valence-excited state. Our study is complemented by a theoretical discussion of RIXS in the case of isotopically substituted water (HDO and D2O) where the nuclear dynamics is significantly affected by the heavier fragments' mass.},
  language  = {en}
}
@article{CoutoCruzErtanetal.2017,
  author    = {Couto, Rafael C. and Cruz, Vinicius V. and Ertan, Emelie and Eckert, Sebastian and Fondell, Mattis and Dantz, Marcus and Kennedy, Brian and Schmitt, Thorsten and Pietzsch, Annette and Guimaraes, Freddy F. and Agren, Hans and Odelius, Michael and Kimberg, Victor and F{\"o}hlisch, Alexander},
  title     = {Selective gating to vibrational modes through resonant X-ray scattering},
  series = {Nature Communications},
  volume    = {8},
  journal   = {Nature Communications},
  publisher = {Nature Publ. Group},
  address   = {London},
  issn      = {2041-1723},
  doi       = {10.1038/ncomms14165},
  pages     = {7},
  year      = {2017},
  abstract  = {The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations.},
  language  = {en}
}
@article{VazdaCruzIgnatovaCoutoetal.2019,
  author    = {Vaz da Cruz, Vin{\´i}cius and Ignatova, Nina and Couto, Rafael and Fedotov, Daniil and Rehn, Dirk R. and Savchenko, Viktoriia and Norman, Patrick and {\AA}gren, Hans and Polyutov, Sergey and Niskanen, Johannes and Eckert, Sebastian and Jay, Raphael Martin and Fondell, Mattis and Schmitt, Thorsten and Pietzsch, Annette and F{\"o}hlisch, Alexander and Odelius, Michael and Kimberg, Victor and Gel'mukhanov, Faris},
  title     = {Nuclear dynamics in resonant inelastic X-ray scattering and X-ray absorption of methanol},
  series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  volume    = {150},
  journal   = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  number    = {23},
  publisher = {American Institute of Physics},
  address   = {Melville},
  issn      = {0021-9606},
  doi       = {10.1063/1.5092174},
  pages     = {20},
  year      = {2019},
  abstract  = {We report on a combined theoretical and experimental study of core-excitation spectra of gas and liquid phase methanol as obtained with the use of X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). The electronic transitions are studied with computational methods that include strict and extended second-order algebraic diagrammatic construction [ADC(2) and ADC(2)-x], restricted active space second-order perturbation theory, and time-dependent density functional theory-providing a complete assignment of the near oxygen K-edge XAS. We show that multimode nuclear dynamics is of crucial importance for explaining the available experimental XAS and RIXS spectra. The multimode nuclear motion was considered in a recently developed "mixed representation" where dissociative states and highly excited vibrational modes are accurately treated with a time-dependent wave packet technique, while the remaining active vibrational modes are described using Franck-Condon amplitudes. Particular attention is paid to the polarization dependence of RIXS and the effects of the isotopic substitution on the RIXS profile in the case of dissociative core-excited states. Our approach predicts the splitting of the 2a RIXS peak to be due to an interplay between molecular and pseudo-atomic features arising in the course of transitions between dissociative core- and valence-excited states. The dynamical nature of the splitting of the 2a peak in RIXS of liquid methanol near pre-edge core excitation is shown. The theoretical results are in good agreement with our liquid phase measurements and gas phase experimental data available from the literature. (C) 2019 Author(s).},
  language  = {en}
}
@misc{CoutoCruzErtanetal.2017,
  author    = {Couto, Rafael C. and Cruz, Vinicius V. and Ertan, Emelie and Eckert, Sebastian and Fondell, Mattis and Dantz, Marcus and Kennedy, Brian and Schmitt, Thorsten and Pietzsch, Annette and Guimar{\~a}es, Freddy F. and {\AA}gren, Hans and Gel'mukhanov, Faris and Odelius, Michael and Kimberg, Victor and F{\"o}hlisch, Alexander},
  title     = {Selective gating to vibrational modes through resonant X-ray scattering},
  series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  number    = {1124},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-43692},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-436926},
  pages     = {9},
  year      = {2017},
  abstract  = {The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations.},
  language  = {en}
}
@misc{VazdaCruzErtanCoutoetal.2017,
  author    = {Vaz da Cruz, Vinicius and Ertan, Emelie and Couto, Rafael C. and Eckert, Sebastian and Fondell, Mattis and Dantz, Marcus and Kennedy, Brian and Schmitt, Thorsten and Pietzsch, Annette and Guimar{\~a}es, Freddy F. and {\AA}gren, Hans and Gel'mukhanov, Faris and Odelius, Michael and F{\"o}hlisch, Alexander and Kimberg, Victor},
  title     = {A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering},
  series = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam Mathematisch-Naturwissenschaftliche Reihe},
  number    = {781},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-43690},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-436901},
  pages     = {19573 -- 19589},
  year      = {2017},
  abstract  = {In this combined theoretical and experimental study we report a full analysis of the resonant inelastic X-ray scattering (RIXS) spectra of H2O, D2O and HDO. We demonstrate that electronically-elastic RIXS has an inherent capability to map the potential energy surface and to perform vibrational analysis of the electronic ground state in multimode systems. We show that the control and selection of vibrational excitation can be performed by tuning the X-ray frequency across core-excited molecular bands and that this is clearly reflected in the RIXS spectra. Using high level ab initio electronic structure and quantum nuclear wave packet calculations together with high resolution RIXS measurements, we discuss in detail the mode coupling, mode localization and anharmonicity in the studied systems.},
  language  = {en}
}
@article{InselGroveHaschkeetal.2012,
  author    = {Insel, N. and Grove, M. and Haschke, Michael and Barnes, J. B. and Schmitt, Axel K. and Strecker, Manfred},
  title     = {Paleozoic to early Cenozoic cooling and exhumation of the basement underlying the eastern Puna plateau margin prior to plateau growth},
  series = {Tectonics},
  volume    = {31},
  journal   = {Tectonics},
  number    = {23},
  publisher = {American Geophysical Union},
  address   = {Washington},
  issn      = {0278-7407},
  doi       = {10.1029/2012TC003168},
  pages     = {17},
  year      = {2012},
  abstract  = {Constraining the pre-Neogene history of the Puna plateau is crucial for establishing the initial conditions that attended the early stage evolution of the southern extent of the Andean plateau. We apply high-to low-temperature thermochronology data from plutonic rocks in northwestern Argentina to quantify the Paleozoic, Mesozoic and early Tertiary cooling history of the Andean crust. U-Pb crystallization ages of zircons indicate that pluton intrusion occurred during the early mid-Ordovician (490-470 Ma) and the late Jurassic (160-150 Ma). Lower-temperature cooling histories from Ar-40/Ar-39 analyses of K-feldspar vary substantially. Basement rocks underlying the western Puna resided at temperatures below 200 degrees C (<6 km depth) since the Devonian (similar to 400 Ma). In contrast, basement rocks underlying the southeastern Puna were hotter (similar to 200-300 degrees C) throughout the Paleozoic and Jurassic and cooled to temperatures of <200 degrees C by similar to 120 Ma. The southeastern Puna basement records a rapid cooling phase coeval with active extension of the Cretaceous Salta rift at similar to 160-100 Ma that we associate with tectonic faulting and lithospheric thinning. The northeastern Puna experienced protracted cooling until the late Cretaceous with temperatures <200 degrees C during the Paleocene. Higher cooling rates between 78 and 55 Ma are associated with thermal subsidence during the postrift stage of the Salta rift and/or shortening-related flexural subsidence. Accelerated cooling and deformation during the Eocene was focused within a narrow zone along the eastern Puna/Eastern Cordillera transition that coincides with Paleozoic/Mesozoic structural and thermal boundaries. Our results constrain regional erosion-induced cooling throughout the Cenozoic to have been less than similar to 150 degrees C, which implies total Cenozoic denudation of <6-4 km.},
  language  = {en}
}
@misc{EhmannZollerMinichmayretal.2018,
  author    = {Ehmann, Lisa and Zoller, Michael and Minichmayr, Iris K. and Schmitt, Maximilian V. and Hartung, Niklas and Huisinga, Wilhelm and Zander, Johannes and Kloft, Charlotte},
  title     = {Development of a tool to identify intensive care patients at risk of meropenem therapy failure},
  series = {International Journal of Clinical Pharmacy},
  volume    = {40},
  journal   = {International Journal of Clinical Pharmacy},
  number    = {1},
  publisher = {Springer},
  address   = {Dordrecht},
  issn      = {2210-7703},
  pages     = {317 -- 317},
  year      = {2018},
  language  = {en}
}
@article{SchulzeMakuchWagnerKounavesetal.2018,
  author    = {Schulze-Makuch, Dirk and Wagner, Dirk and Kounaves, Samuel P. and Mangelsdorf, Kai and Devine, Kevin G. and de Vera, Jean-Pierre and Schmitt-Kopplin, Philippe and Grossart, Hans-Peter and Parro, Victor and Kaupenjohann, Martin and Galy, Albert and Schneider, Beate and Airo, Alessandro and Froesler, Jan and Davila, Alfonso F. and Arens, Felix L. and Caceres, Luis and Cornejo, Francisco Solis and Carrizo, Daniel and Dartnell, Lewis and DiRuggiero, Jocelyne and Flury, Markus and Ganzert, Lars and Gessner, Mark O. and Grathwohl, Peter and Guan, Lisa and Heinz, Jacob and Hess, Matthias and Keppler, Frank and Maus, Deborah and McKay, Christopher P. and Meckenstock, Rainer U. and Montgomery, Wren and Oberlin, Elizabeth A. and Probst, Alexander J. and Saenz, Johan S. and Sattler, Tobias and Schirmack, Janosch and Sephton, Mark A. and Schloter, Michael and Uhl, Jenny and Valenzuela, Bernardita and Vestergaard, Gisle and Woermer, Lars and Zamorano, Pedro},
  title     = {Transitory microbial habitat in the hyperarid Atacama Desert},
  series = {Proceedings of the National Academy of Sciences of the United States of America},
  volume    = {115},
  journal   = {Proceedings of the National Academy of Sciences of the United States of America},
  number    = {11},
  publisher = {National Acad. of Sciences},
  address   = {Washington},
  issn      = {0027-8424},
  doi       = {10.1073/pnas.1714341115},
  pages     = {2670 -- 2675},
  year      = {2018},
  language  = {en}
}