Schröder, Benjamin

[["dc.bibliographiccitation.firstpage","99"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","British Journal of Nutrition"],["dc.bibliographiccitation.lastpage","104"],["dc.bibliographiccitation.volume","95"],["dc.contributor.author","Abel, H."],["dc.contributor.author","Schröder, B."],["dc.contributor.author","Lebzien, P."],["dc.contributor.author","Flachowsky, G."],["dc.date.accessioned","2021-06-01T10:51:10Z"],["dc.date.available","2021-06-01T10:51:10Z"],["dc.date.issued","2006"],["dc.description.abstract","Biotin is required by rumen microbes for efficient fermentation. To evaluate the role of protozoa in ruminal biotin metabolism, five diets composed of grass hay or of grass hay/cereal grain mixtures were supplied to faunated or defaunated RUSITEC fermenters. In the mixed diets, hay was replaced to 33:67 or 67:33 w/w on an air-dried basis by either wheat or maize grain in order to simulate different cellulolytic and amylolytic fermentation conditions. Defaunation increased SCFA production, whereas NH 4 concentration and the release of CH 4 were reduced. Biotin input declined when cereal grain was used to replace the hay. With the exception of the high-wheat treatment, defaunated fermenters yielded higher biotin outputs than faunated fermenters. The biotin balance, calculated as the difference between the total biotin output (biotin in the solid residue contained in the nylon bags after fermentation plus the biotin in the effluent) and the biotin input with the feed, was negative for all the dietary treatments apart from fermenters supplied with the high-maize diet. It was less negative or, in the case of the high-maize diets, more positive for defaunated compared with faunated fermenters. It was concluded that, under normal faunated conditions, protozoa directly utilise or indirectly affect the bacterial synthesis and/or utilisation of biotin. With diets of a high fermentation potential, as realised with the high-wheat diet, protozoa prevent the development of a bacterial population that would utilise high or synthesise low amounts of biotin."],["dc.identifier.doi","10.1079/BJN20051607"],["dc.identifier.isi","000234936600012"],["dc.identifier.pmid","16441921"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/86915"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-425"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Cabi Publishing"],["dc.relation.eissn","1475-2662"],["dc.relation.issn","0007-1145"],["dc.title","Effects of defaunation on fermentation characteristics and biotin balance in an artificial rumen-simulation system (RUSITEC) receiving diets with different amounts and types of cereal"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","231105"],["dc.bibliographiccitation.issue","23"],["dc.bibliographiccitation.journal","Applied Physics Letters"],["dc.bibliographiccitation.volume","107"],["dc.contributor.author","Schroeder, Benjamin"],["dc.contributor.author","Sivis, Murat"],["dc.contributor.author","Bormann, Reiner"],["dc.contributor.author","Schäfer, Sascha"],["dc.contributor.author","Ropers, Claus"],["dc.date.accessioned","2018-11-07T09:47:38Z"],["dc.date.available","2018-11-07T09:47:38Z"],["dc.date.issued","2015"],["dc.description.abstract","We demonstrate multiphoton photoelectron emission from gold nanotips induced by nanofocusing surface plasmons, resonantly excited on the tip shaft by a grating coupler. The tip is integrated into an electron gun assembly, which facilitates control over the spatial emission sites and allows us to disentangle direct grating emission from plasmon-triggered apex emission. The nanoscale source size of this electron gun concept enables highly coherent electron pulses with applications in ultrafast electron imaging and diffraction. (C) 2015 AIP Publishing LLC."],["dc.description.sponsorship","Deutsche Forschungsgemeinschaft (DFG) [SFB-1073]"],["dc.identifier.doi","10.1063/1.4937121"],["dc.identifier.isi","000367010800005"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/35153"],["dc.language.iso","en"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area A | A05 Nanoskalige Untersuchung raumzeitlicher Relaxation in heterogenen Systemen mit ultraschneller Transmissionselektronenmikroskopie"],["dc.relation.issn","1077-3118"],["dc.relation.issn","0003-6951"],["dc.title","An ultrafast nanotip electron gun triggered by grating-coupled surface plasmons"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.subtype","original_ja"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","111628"],["dc.bibliographiccitation.journal","Journal of Molecular Spectroscopy"],["dc.bibliographiccitation.volume","386"],["dc.contributor.author","Schröder, Benjamin"],["dc.contributor.author","Sebald, Peter"],["dc.date.accessioned","2022-07-01T07:35:51Z"],["dc.date.available","2022-07-01T07:35:51Z"],["dc.date.issued","2022"],["dc.identifier.doi","10.1016/j.jms.2022.111628"],["dc.identifier.pii","S0022285222000480"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/112276"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-581"],["dc.relation.issn","0022-2852"],["dc.rights.uri","https://www.elsevier.com/tdm/userlicense/1.0/"],["dc.title","Variational rovibrational calculations for tetra atomic linear molecules using Watson’s isomorphic Hamiltonian: II. The B11244 story retold"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","111613"],["dc.bibliographiccitation.journal","Journal of Molecular Spectroscopy"],["dc.bibliographiccitation.volume","385"],["dc.contributor.author","Schröder, Benjamin"],["dc.date.accessioned","2022-07-01T07:35:50Z"],["dc.date.available","2022-07-01T07:35:50Z"],["dc.date.issued","2022"],["dc.identifier.doi","10.1016/j.jms.2022.111613"],["dc.identifier.pii","S0022285222000376"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/112275"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-581"],["dc.relation.issn","0022-2852"],["dc.rights.uri","https://www.elsevier.com/tdm/userlicense/1.0/"],["dc.title","Variational rovibrational calculations for tetra atomic linear molecules using Watson’s isomorphic Hamiltonian, I: The C8v4 approach"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","131102"],["dc.bibliographiccitation.issue","13"],["dc.bibliographiccitation.journal","Applied Physics Letters"],["dc.bibliographiccitation.volume","111"],["dc.contributor.author","Wimmer, Lara"],["dc.contributor.author","Schröder, Benjamin"],["dc.contributor.author","Sivis, Murat"],["dc.contributor.author","Herink, Georg"],["dc.contributor.author","Ropers, Claus"],["dc.date.accessioned","2019-11-28T10:28:21Z"],["dc.date.available","2019-11-28T10:28:21Z"],["dc.date.issued","2017"],["dc.description.abstract","We apply terahertz (THz) near-field streaking in a nanofocusing geometry to investigate plasmon polariton propagation on the shaft of a conical nanotip. By evaluating the delay between a streaking spectrogram for plasmon-induced photoemission with a measurement for direct apex excitation, we obtain an average plasmon group velocity, which is in agreement with numerical simulations. Combining plasmon-induced photoemission with THz near-field streaking facilitates extensive control over localized photoelectron sources for time-resolved imaging and diffraction."],["dc.identifier.doi","10.1063/1.4991860"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/62697"],["dc.language.iso","en"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area C | C04 Untersuchung und Kontrolle photochemischer Reaktionen durch lokale optische Anregung im Rastertunnelmikroskop"],["dc.relation.issn","0003-6951"],["dc.relation.issn","1077-3118"],["dc.title","Clocking plasmon nanofocusing by THz near-field streaking"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.subtype","original_ja"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","154107"],["dc.bibliographiccitation.issue","15"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","157"],["dc.contributor.author","Dinu, Dennis F."],["dc.contributor.author","Tschöpe, Martin"],["dc.contributor.author","Schröder, Benjamin"],["dc.contributor.author","Liedl, Klaus R."],["dc.contributor.author","Rauhut, Guntram"],["dc.date.accessioned","2022-12-01T08:31:04Z"],["dc.date.available","2022-12-01T08:31:04Z"],["dc.date.issued","2022"],["dc.description.abstract","Rotational constants and centrifugal distortion constants of a molecule are the essence of its rotational or rovibrational spectrum (e.g., from microwave, millimeter wave, and infrared experiments). These parameters condense the spectroscopic characteristics of a molecule and, thus, are a valuable resource in terms of presenting and communicating spectroscopic observations. While spectroscopic parameters are obtained from experimental spectra by fitting an effective rovibrational Hamiltonian to transition frequencies, the ab initio calculation of these parameters is usually done within vibrational perturbation theory. In the present work, we investigate an approach related to the experimental fitting procedure, but relying solely on ab initio data obtained from variational calculations, i.e., we perform a nonlinear least squares fit of Watson’s A- and S-reduced rotation–vibration Hamiltonian to rovibrational state energies (resp. transition frequencies) from rotational–vibrational configuration interaction calculations. We include up to sextic centrifugal distortion constants. By relying on an educated guess of spectroscopic parameters from vibrational configuration interaction and vibrational perturbation theory, the fitting procedure is very efficient. We observe excellent agreement with experimentally derived parameters."],["dc.description.sponsorship"," Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659"],["dc.identifier.doi","10.1063/5.0116018"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/118061"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-621"],["dc.relation.eissn","1089-7690"],["dc.relation.issn","0021-9606"],["dc.title","Determination of spectroscopic constants from rovibrational configuration interaction calculations"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2169"],["dc.bibliographiccitation.issue","15-16"],["dc.bibliographiccitation.journal","Molecular Physics"],["dc.bibliographiccitation.lastpage","2178"],["dc.bibliographiccitation.volume","113"],["dc.contributor.author","Stein, Christopher J."],["dc.contributor.author","Weser, Oskar"],["dc.contributor.author","Schroeder, Benjamin"],["dc.contributor.author","Botschwina, Peter"],["dc.date.accessioned","2018-11-07T09:53:13Z"],["dc.date.available","2018-11-07T09:53:13Z"],["dc.date.issued","2015"],["dc.description.abstract","The equilibrium geometry and rovibrational spectroscopic parameters of the three astrochemical ions l-C3H+, l-SiC2H+, and C3N- and some of their isotopologues are obtained from high-level quantum chemical calculations. A composite approach based on the explicitly correlated coupled-cluster method CCSD(T)-F12b, that further includes core correlation, scalar-relativistic effects and most importantly higher order correlation beyond CCSD(T) is used to set-up the near-equilibrium potential energy surface (PES). The spectroscopic parameters of these linear tetra-atomic ions are then extracted from these PESs by vibrational perturbation theory of second order (VPT2). Calculation of absolute intensities is also carried out for the stretching frequencies of the cations in order to identify the bands that are most likely to be detected. The importance of the accurate calculation of the rotational constants B-0 and D-0 for astrochemistry is discussed as well as the limits of VPT2 in this context and reasons for these limitations."],["dc.identifier.doi","10.1080/00268976.2015.1017019"],["dc.identifier.isi","000360906000014"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/36287"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Taylor & Francis Ltd"],["dc.relation.issn","1362-3028"],["dc.relation.issn","0026-8976"],["dc.title","High-level theoretical spectroscopic parameters for three ions of astrochemical interest"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","115408"],["dc.bibliographiccitation.issue","11"],["dc.bibliographiccitation.journal","Physical Review. B"],["dc.bibliographiccitation.volume","93"],["dc.contributor.author","Schröder, Benjamin"],["dc.contributor.author","Ropers, Claus"],["dc.contributor.author","Yalunin, Sergey Valerevich"],["dc.date.accessioned","2020-12-10T18:20:24Z"],["dc.date.available","2020-12-10T18:20:24Z"],["dc.date.issued","2016"],["dc.description.abstract","We present an analytical description of the electron energy loss near plasmonic nanostructures with cylindrical symmetry as a three-step process: (i) electron-induced excitation of surface plasmon modes, (ii) their propagation and reflection, and (iii) the backaction on the electrons. The model incorporates relativistic effects, retardation, and light emission, and can treat arbitrary tilted electron trajectories. Convincing agreement with recent experimental data is demonstrated."],["dc.identifier.doi","10.1103/PhysRevB.93.115408"],["dc.identifier.eissn","2469-9969"],["dc.identifier.isi","000371734300006"],["dc.identifier.issn","2469-9950"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/75552"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-354"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.relation","SFB 1073: Kontrolle von Energiewandlung auf atomaren Skalen"],["dc.relation","SFB 1073 | Topical Area C | C04 Untersuchung und Kontrolle photochemischer Reaktionen durch lokale optische Anregung im Rastertunnelmikroskop"],["dc.relation.issn","2469-9969"],["dc.relation.issn","2469-9950"],["dc.title","Theory of electron energy loss near plasmonic wires, nanorods, and cones"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.subtype","original_ja"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","044307"],["dc.bibliographiccitation.issue","4"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","144"],["dc.contributor.author","Schroeder, Benjamin"],["dc.contributor.author","Sebald, Peter"],["dc.date.accessioned","2018-11-07T10:19:07Z"],["dc.date.available","2018-11-07T10:19:07Z"],["dc.date.issued","2016"],["dc.description.abstract","An accurate local (near-equilibrium) potential energy surface (PES) is reported for the C-3 molecule in its electronic ground state ((X) over tilde (1)Sigma(+)(g)). Special care has been taken in the convergence of the potential relative to high-order correlation effects, core-valence correlation, basis set size, and scalar relativity. Based on the aforementioned PES, several rovibrational states of all C-12 and C-13 substituted isotopologues have been investigated, and spectroscopic parameters based on term energies up to J = 30 have been calculated. Available experimental vibrational term energies are reproduced to better than 1 cm(-1) and rotational constants show relative errors of not more than 0.01%. The equilibrium bond length has been determined in a mixed experimental/theoretical approach to be 1.294 07(10) A in excellent agreement with the ab initio composite value of 1.293 97 A. Theoretical band intensities based on a newly developed electric dipole moment function also suggest that the infrared active (1,1(1),0) (0,0(0),0) combination band might be observable by high-resolution spectroscopy. (C) 2016 AIP Publishing LLC."],["dc.identifier.doi","10.1063/1.4940780"],["dc.identifier.isi","000369893100025"],["dc.identifier.pmid","26827217"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/41598"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Inst Physics"],["dc.relation.issn","1089-7690"],["dc.relation.issn","0021-9606"],["dc.title","High-level theoretical rovibrational spectroscopy beyond fc-CCSD(T): The C-3 molecule"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","5989"],["dc.bibliographiccitation.issue","11"],["dc.bibliographiccitation.journal","Physical Chemistry, Chemical Physics"],["dc.bibliographiccitation.lastpage","5998"],["dc.bibliographiccitation.volume","21"],["dc.contributor.author","Forsting, Thomas"],["dc.contributor.author","Zischang, Julia"],["dc.contributor.author","Suhm, Martin A."],["dc.contributor.author","Eckhoff, Marco"],["dc.contributor.author","Schröder, Benjamin"],["dc.contributor.author","Mata, Ricardo A."],["dc.date.accessioned","2020-12-10T18:11:26Z"],["dc.date.available","2020-12-10T18:11:26Z"],["dc.date.issued","2019"],["dc.description.abstract","In this work, a careful analysis of anharmonic couplings in NH and some CH stretch modes of imidazole is carried out. This includes IR and Raman spectra of the isolated molecule and aggregates up to the trimer, together with two different theoretical approaches to the calculation of anharmonic shifts and absolute band positions. The imidazole dimer is vibrationally characterized for the first time in vacuum isolation under supersonic jet conditions, showing substantial shifts from previous helium droplet experiments and evidence for Fermi resonance for the hydrogen-bonded NH stretch. The most stable imidazole trimer structure is unambiguously shown to be cyclic with three non-equivalent, highly strained hydrogen bonds. This contrasts the helium droplet observation of a chain trimer involving two unstrained hydrogen bonds. These experimental conclusions are strongly corroborated by theory, including vibrational perturbation theory and anharmonic normal mode analysis. Systematic error compensation in some of these methods is emphasized. Intramolecular anharmonic coupling constants from perturbation theory are validated by Raman hot band jet spectroscopy of the monomer. Imidazole aggregation is shown to provide valuable benchmarking opportunities for electronic structure and in particular for anharmonic vibrational methods, covering the field of strong and strongly distorted hydrogen bonding."],["dc.identifier.doi","10.1039/C9CP00399A"],["dc.identifier.eissn","1463-9084"],["dc.identifier.issn","1463-9076"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/74012"],["dc.language.iso","en"],["dc.notes.intern","DOI Import GROB-354"],["dc.relation.eissn","1463-9084"],["dc.relation.issn","1463-9076"],["dc.relation.orgunit","Institut für Physikalische Chemie"],["dc.rights","CC BY 3.0"],["dc.title","Strained hydrogen bonding in imidazole trimer: a combined infrared, Raman, and theory study"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]