# FS-CFELCMI

 2017-11-0917:14 [PUBDB-2017-11840] Contribution to a book Küpper, J. Capturing nanoscale fireworks Photon Science 2016 - Highlights and Annual Report (ISBN 978-3-945931-09-7) Hamburg : Verlag Deutsches Elektronen-Synchrotron Hamburg, 2 pp. (2017) Surfaces, thin films and interfacesFigure 1X-ray diffraction patterns of pristine and pre-heated xenon clusters. The top panel shows diffraction from a pristine spherical cluster. [...] Restricted: PDF; 2017-11-0910:47 [PUBDB-2017-11809] Journal Article et al Characterization of Ammonia Binding to the Second Coordination Shell of the Oxygen-Evolving Complex of Photosystem II Dalton transactions -, 10.1039.C7DT03901H (2017) [10.1039/C7DT03901H]   Fulltext: PNG; Restricted: PDF PDF (PDFA); 2017-10-2515:51 [PUBDB-2017-11555] Conference Presentation (Other) et al X-ray photofragmentation study of gas-phase indole and indole-water cluster CLEO/Europe-EQEC 2017, CLEO, Meeting locationMünchen, Germany, 25 Jun 2017 - 30 Jun 2017   The properties of atoms and molecules are strongly dependent on their environment and hydrogen bonds are of universal importance in chemistry and biochemistry. Therefore, it is highly desirable to bridge the gap between single, isolated molecules and molecules in solvation.Here, we present results on the photofragmentation of indole, the chromophore of the amino acid tryptophan, and indole-water1 clusters, i.e., indole ‘solvated’ by a single water molecule [...] OpenAccess: PDF PDF (PDFA); 2017-10-2416:18 [PUBDB-2017-11539] Preprint/Report et al Development and Characterization of a Laser-Induced Acoustic Desorption Source [arXiv:1710.06684]   A laser-induced acoustic desorption source, developed for use at central facilities, such as free-electron lasers, is presented. It features prolonged measurement times and a fixed interaction point. [...] Fulltext: JPG; Restricted: PDF PDF (PDFA); External link: Fulltext 2017-10-2012:14 [PUBDB-2017-11466] Preprint/Report et al Femtosecond x-ray diffraction from an aerosolized beam of protein nanocrystals [arXiv:1702.04014] We demonstrate near-atomic-resolution Bragg diffraction from aerosolized single granulovirus crystals using an x-ray free-electron laser. The form of the aerosol injector is nearly identical to conventional liquid-microjet nozzles, but the x-ray-scattering background is reduced by several orders of magnitude by the use of helium carrier gas rather than liquid. [...] OpenAccess: PDF; 2017-10-1811:07 [PUBDB-2017-11440] Report/Journal Article et al Characterizing and optimizing a laser-desorption molecular beam source [arXiv:1706.04083] The journal of chemical physics 147(14), 144204 (2017) [10.1063/1.4991639]   The design and characterization of a new laser-desorption molecular beam source, tailored for use in x-ray free-electron laser and ultrashort-pulse laser imaging experiments, is presented. It consists of a single mechanical unit containing all source components, including the molecular-beam valve, the sample, and the fiber-coupled desorption laser, which is movable in five axes, as required for experiments at central facilities. [...] Fulltext: PNG; OpenAccess: PDF PDF (PDFA); 2017-10-1021:00 [PUBDB-2017-11260] Journal Article Küpper, J. Communication: General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules The journal of chemical physics 147(14), 141101 (2017) [10.1063/1.5002533]   A general algorithm for computing the quadrupole-hyperfine effects in the rovibrational spectra of polyatomic molecules is presented for the case of ammonia (NH$_3$). The method extends the general variational approach TROVE by adding the extra term in the Hamiltonian that describes the nuclear quadrupole coupling, with no inherent limitation on the number of quadrupolar nuclei in a molecule. [...] Fulltext: GIF; OpenAccess: 1%2E5002533 - PDF PDF (PDFA); nh3_qmom - PDF PDF (PDFA); 2017-10-1016:27 [PUBDB-2017-11259] Poster Küpper, J. Laser-induced acoustic desorption of large molecules DPG-Frühjahrstagung der Sektion AMOP, Meeting locationHeidelberg, Germany, 23 Mar 2015 - 27 Mar 2015 State-, conformer-, and size-selection of small neutral molecules can be achieved through the dispersion of the molecular beam with electric fields [1]. State-selected small molecules can then be well aligned and oriented by laser and static electric fields [2]. [...] External link: Fulltext 2017-10-1016:07 [PUBDB-2017-11258] Conference Presentation et al Laser-induced acoustic desorption of large molecules via tape-drive method DPG-Frühjahrstagung SAMOP, Meeting locationHannover, Germany, 29 Feb 2016 - 4 Mar 2016 By dispersing molecular beams with strong electric fields, we can routinely produce pure samples of individual conformers or clusters according to their quantum state. Selected molecules can be further controlled using alignment and orientation by laser and static electric fields [1]. [...] External link: Fulltext 2017-10-1015:45 [PUBDB-2017-11257] Conference Presentation (After Call) et al Laser-induced acoustic desorption of large molecules for FEL experiments DPG-Frühjahrstagung SAMOP, Meeting locationMainz, Germany, 6 Mar 2017 - 10 Mar 2017 Laser-induced acoustic desorption (LIAD) is a promising technique for gentle and efficient preparation of large intact neutral molecules into the gas-phase [1]. Here we demonstrate our newly set-up LIAD source, designed for prolonged measurement time, as required by FEL experiments, through automatic sample replenishment. [...] External link: Fulltext