CFEL-CMI

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2018-08-30
13:53
OpenAccess [PUBDB-2018-03279] Contribution to a conference proceedings/Contribution to a book
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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, 29 Apr 2018 - 4 May 20182018-04-292018-05-04 Geneva : JACoW Publishing 1612-1614 () [10.18429/JACOW-IPAC2018-TUPML031]  GO
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. [...]
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2018-08-24
14:15
[PUBDB-2018-03160] Conference Presentation (Invited)

Controlled molecules and chemical dynamics in the molecular frame
256th ACS National Meeting – Symposium 'Ultrafast Molecular Sviences by Femtosecond Photons&Electrons: Symposium in Honor of Ahmed Zewail', BostonBoston, MA, USA, 19 Aug 2018 - 23 Aug 20182018-08-192018-08-23
Based on the visionary experiments in femtochemistry and ultrafast electron diffraction many details of the elementary steps of chemical reactions could be unraveled [1]. However, thermal averaging over different molecular species and the isotropic directionality of molecules, even in cold molecular beams, limits the information that can be extracted from such experiments.Here, I will report on our endeavors to unravel the molecular structures and chemical dynamics of well-defined single molecular species and directly in the molecular frame [...]
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2018-08-14
11:14
[PUBDB-2018-02944] Conference Presentation

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 20182018-05-102018-05-12
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2018-07-30
10:50
[PUBDB-2018-02722] Journal Article
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Photophysics of indole upon X-ray absorption
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. [...]
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2018-07-23
14:49
[PUBDB-2018-02659] Report/Journal Article
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Optimizing aerodynamic lenses for single-particle imaging
[arXiv:1712.01795 [physics.flu-dyn]]
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. [...]
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2018-07-19
23:35
[PUBDB-2018-02644] Journal Article
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The rotation–vibration spectrum of methyl fluoride from first principles
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. [...]
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2018-07-19
23:24
OpenAccess [PUBDB-2018-02643] Journal Article
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ExoMol line lists – XXIX. Therotation-vibration spectrum of methyl chloride up to 1200 K
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 $\lambda>1.56\mu m$). [...]
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2018-07-13
23:58
[PUBDB-2018-02606] Journal Article
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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. [...]
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2018-07-04
11:39
OpenAccess [PUBDB-2018-02514] Journal Article
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Communication: Switched wave packets with spectrally truncated chirped pulses
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. [...]
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2018-07-03
08:22
OpenAccess [PUBDB-2018-02507] Journal Article
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Treating linear molecule HCCH in calculations of rotation-vibration spectra
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. [...]
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