# CFEL-CMI

 2018-08-1411:14 [PUBDB-2018-02944] Conference Presentation Küpper, J. Observation of different reactivities of para- and ortho-water towards cold diazenylium $\mathrm{(N_{2}H^{+})}$ ions General Assembly of the German Bunsen Society for Physical Chemistry, Bunsentagung 2018, HannoverHannover, Germany, 10 May 2018 - 12 May 2018 External link: Fulltext 2018-07-3010:50 [PUBDB-2018-02722] Journal Article et al Photophysics of indole upon X-ray absorption Physical chemistry, chemical physics 20, 20205-20216 (2018) [10.1039/C8CP00936H]   A photofragmentation study of gas-phase indole $(C_8H_7N)$ upon single-photon ionization at a photon energy of 420 eV is presented. Indole was primarily inner-shell ionized at its nitrogen and carbon 1s orbitals. [...] Fulltext: GIF; Restricted: PDF PDF (PDFA); External link: Fulltext 2018-07-2314:49 [PUBDB-2018-02659] Report/Journal Article et al Optimizing aerodynamic lenses for single-particle imaging [arXiv:1712.01795 [physics.flu-dyn]] Journal of aerosol science 124, 17-29 (2018) [10.1016/j.jaerosci.2018.06.010]   A numerical simulation infrastructure capable of calculating the flow of gas and the trajectories of particles through an aerodynamic lens injector is presented. The simulations increase the fundamental understanding and predict optimized injection geometries and parameters. [...] Restricted: PDF PDF (PDFA); 2018-07-1923:35 [PUBDB-2018-02644] Journal Article et al The rotation–vibration spectrum of methyl fluoride from first principles Missing Journal / Fehlende Zeitschrift xxx, 10.1039.C8CP01721B (2018) [10.1039/C8CP01721B]   Accurate ab initio calculations on the rotation–vibration spectrum of methyl fluoride (CH$_3$F) are reported. A new nine-dimensional potential energy surface (PES) and dipole moment surface (DMS) have been generated using high-level electronic structure methods. [...] Fulltext: GIF; Restricted: PDF PDF (PDFA); 2018-07-1923:24 [PUBDB-2018-02643] Journal Article et al ExoMol line lists – XXIX. Therotation-vibration spectrum of methyl chloride up to 1200 K Monthly notices of the Royal Astronomical Society 479(3), 3002-3010 (2018) [10.1093/mnras/sty1542]   Comprehensive rotation-vibration line lists are presented for the two main isotopologues of methyl chloride, $^{12}CH_3^{35}Cl$ and $^{12}CH_3^{37}Cl$. The line lists, $OYT_{-35}$ and $OYT_{-37}$, are suitable for temperatures up to T=1200 K and consider transitions with rotational excitation up to J = 85 in the wavenumber range 0–6400 $cm^{−1}$ (wavelengths $\lambda>1.56\mu m$). [...] Fulltext: GIF; OpenAccess: PDF PDF (PDFA); 2018-07-1323:58 [PUBDB-2018-02606] Journal Article Küpper, J. Coherent Control of the Rotation Axis of Molecular Superrotors   The control of ultrafast molecular rotational motion has benefited from the development of innovative techniques in strong-field laser physics. Here, we theoretically demonstrate a novel type of coherent control by inducing rotation of an asymmetric-top molecule about two different molecular axes. [...] Fulltext: PDF PDF (PDFA); Restricted: PDF PDF (PDFA); 2018-07-0411:39 [PUBDB-2018-02514] Journal Article et al Communication: Switched wave packets with spectrally truncated chirped pulses The journal of chemical physics 148(22), 221105 (2018) [10.1063/1.5028359]   A new technique for obtaining switched wave packets using spectrally truncated chirped laser pulses is demonstrated experimentally and numerically by one-dimensional alignment of both linear and asymmetric top molecules. Using a simple long-pass transmission filter, a pulse with a slow turn-on and a rapid turn-off is produced. [...] OpenAccess: PDF PDF (PDFA); External link: Fulltext 2018-07-0308:22 [PUBDB-2018-02507] Journal Article et al Treating linear molecule HCCH in calculations of rotation-vibration spectra The journal of chemical physics 149(1), 014101 (2018) [10.1063/1.5031844]   Special treatment is required for ro-vibrational calculations involving polyatomic molecules of linear geometry in order to avoid singularities in the kinetic energy operator. Here we present a variational approach which allows calculations involving such configurations, with a set of $3N − 5$ linearized coordinates used to represent the vibrations. [...] Fulltext: GIF; OpenAccess: PDF PDF (PDFA); 2018-06-1511:35 [PUBDB-2018-02283] Contribution to a conference proceedings et al Characterization of Polarization-Dependent Emittance From an Array of Au Nanorods using Velocity Map Imaging Spectrometer 9th International Particle Accelerator Conference, IPAC 2018, VancouverVancouver, Canada, 30 Apr 2018 - 4 May 2018 3 pp. (2018) [10.3204/PUBDB-2018-02283]   Electron beams of high quality, e.g., low emittance, are of crucial importance for cutting-edge scientific instruments, such as x-ray free electron lasers (XFELs) and ultrafast electron diffraction (UED) setups. A velocity-map-imaging (VMI) spectrometer was implemented to characterize the intrinsic root-mean-square (rms) normalized emittance from photocathodes. [...] OpenAccess: PDF PDF (PDFA); 2018-05-2914:42 [PUBDB-2018-02134] Report/Journal Article et al Observation of different reactivities of para and ortho-water towards trapped diazenylium ions [arXiv:1804.05925] Nature Communications 9(1), 2096 (2018) [10.1038/s41467-018-04483-3]   Water is one of the most fundamental molecules in chemistry, biology and astrophysics. It exists as two distinct nuclear-spin isomers, para- and ortho-water, which do not interconvert in isolated molecules. [...] Fulltext: GIF; OpenAccess: PDF PDF (PDFA); External link: Fulltext