X-ray diffractive imaging of controlled gas-phase molecules: Toward imaging of dynamics in the molecular frameWe report experimental results on the diffractive imaging of three-dimensionally aligned 2,5-diiodothiophene molecules. The molecules were aligned by chirped near-infrared laser pulses, and their…Thomas Kierspel, Andrew Morgan, Joss Wiese et al.·Oct 29, 2019SaveLearn
Laser-induced dynamics of molecules with strong nuclear quadrupole couplingWe present a general variational approach for computing the laser-induced rovibrational dynamics of molecules taking into account the hyperfine effects of the nuclear quadrupole coupling. The method…Andrey Yachmenev, Linda V. Thesing, Jochen Küpper·Oct 29, 2019SaveLearn
Large orbital magnetic moments of small, free cobalt cluster ions Con+ with n ≤ 9The size dependent electronic structure and separate spin and orbital magnetic moments of free Con+ (n = 4\;-\;9) cluster ions have been investigated by x-ray absorption and x-ray…V Zamudio-Bayer, K Hirsch, A Langenberg et al.·Oct 29, 2019SaveLearn
On the compression of the fullerene shell by an extra positive charge at its centerIn this Letter, we investigate the variation of endohedral A@CN potential due to addition at the center of it a positive charge, for example, in the process of atom A photoionization. Using a…M. Ya. Amusia, A. S. Baltenkov, L. V. Chernysheva·Oct 25, 2019SaveLearn
Laboratory formation and photo-chemistry of fullerene/anthracene cluster cationsBesides buckminsterfullerene (C60), other fullerenes and their derivatives may also reside in space. In this work, we study the formation and photo-dissociation processes of astronomically relevant…Junfeng Zhen, Weiwei Zhang, YuanYuan Yang et al.·Oct 25, 2019SaveLearn
Excitonic fine structure in emission of linear carbon chainsWe studied monoatomic linear carbon chains stabilised by gold nanoparticles attached to their ends and deposited on a solid substrate. We observe spectral features of straight chains containing from…Stella Kutrovskaya, Anton Osipov, Stepan Baryshev et al.·Oct 22, 2019SaveLearn
Charge-exchange dominates long-range interatomic Coulombic decay of excited metal-doped He nanodropletsAtoms and molecules attached to rare gas clusters are ionized by an interatomic autoionization process traditionally termed 'Penning ionization' when the host cluster is resonantly excited. Here we…L. Ben Ltaief, M. Shcherbinin, S. Mandal et al.·Oct 14, 2019SaveLearn
Effect of aggregation morphology on thermal conductivity and viscosity of Al2O3-CO2 nanofluid: A Molecular Dynamics approachCO2 cooling systems are the wave of the future for industrial refrigeration. CO2 refrigeration systems are gaining traction in recent years which involves heat transfer between CO2 and the base…Zeeshan Ahmed, Atul Bhargav·Oct 13, 2019SaveLearn
Ionization of biological molecules by multicharged ions using the stoichiometric modelIn the present work, we investigate the ionization of molecules of biological interest by the impact of multicharged ions in the intermediate to high energy range. We performed full non-perturbative…A. M. P. Mendez, C. C. Montanari, J. E. Miraglia·Sep 30, 2019SaveLearn
Mean first passage times reconstruct the slowest relaxations in potential energy landscapes of nanoclustersRelaxation modes are the collective modes in which all probability deviations from equilibrium states decay with the same relaxation rates. In contrast, a first passage time is the required time for…Teruaki Okushima, Tomoaki Niiyama, Kensuke S. Ikeda et al.·Sep 24, 2019SaveLearn
Ultraslow radiative cooling of Cn- (n=3-5)Ultraslow radiative cooling lifetimes and adiabatic detachment energies for three astrochemically relevant anions, Cn- (n=3-5), are measured using the Double ElectroStatic Ion Ring ExpEriment…James N. Bull, Michael S. Scholz, Eduardo Carrascosa et al.·Sep 16, 2019SaveLearn
Direct detection of polar structure formation in helium nanodroplets by beam deflection measurementsLong-range intermolecular forces are able to steer polar molecules submerged in superfluid helium nanodroplets into highly polar metastable configurations. We demonstrate that the presence of such…John W. Niman, Benjamin S. Kamerin, Lorenz Kranabetter et al.·Sep 14, 2019SaveLearn
Electronic Structure Calculation of AsSiTeB/SiAsBTe nanostructures using the Density Functional TheoryThe electronic structure calculation for the nanoclusters of (AsSiTeB/SiAsBTe) quaternary semiconductor alloy belonging to the (III-V Group elements) is performed. The two clusters one in the linear…Ankit Kargeti, Ravikant Shrivastav, Tabish Rasheed·Sep 12, 2019SaveLearn
Confinement of two-body systems and calculations in d dimensionsA continuous transition for a system moving in a three-dimensional (3D) space to moving in a lower-dimensional space, 2D or 1D, can be made by means of an external squeezing potential. A squeeze…E. Garrido, A. S. Jensen·Sep 9, 2019SaveLearn
Double and triple ionization of isocyanic acidDouble and triple ionization spectra of isocyanic acid have been measured using multi-electron and ion coincidence techniques combined with synchrotron radiation and compared with high-level…J. H. D. Eland, R. J. Squibb, A. J. Sterling et al.·Aug 29, 2019SaveLearn
Coulomb explosion of CD3I induced by single photon deep inner-shell ionisationL-shell ionisation and subsequent Coulomb explosion of fully deuterated methyl iodide, CD3I, irradiated with hard x-rays has been examined by a time-of-flight multi-ion coincidence technique. The…M. Wallner, J. H. D. Eland, R. J. Squibb et al.·Aug 25, 2019SaveLearn
Embedding Human Heuristics in Machine-Learning-Enabled Probe MicroscopyScanning probe microscopists generally do not rely on complete images to assess the quality of data acquired during a scan. Instead, assessments of the state of the tip apex, which not only…O. Gordon, F. Junqueira, P. Moriarty·Jul 31, 2019SaveLearn
Smallest Fullerene-like Structures of Boron with Cr, Mo, and W EncapsulationUsing density functional theory calculations, we study doping of a Cr, Mo, and W atom in boron clusters in the size range of 18-24 atoms and report the finding of metal atom encapsulated…Amol B. Rahane, Pinaki Saha, N. Sukumar et al.·Jul 29, 2019SaveLearn
Oriented polar molecules trapped in cold helium nanodroplets: Electrostatic deflection, size separation, and charge migrationHelium nanodroplets doped with polar molecules are studied by electrostatic deflection. This broadly applicable method allows even polyatomic molecules to attain sub-Kelvin temperatures and nearly…John W. Niman, Benjamin S. Kamerin, Daniel J. Merthe et al.·Jul 25, 2019SaveLearn
Electron capture and ionization cross-section calculations for proton collisions from methane and the DNA and RNA nucleobasesNet ionization and net capture cross-section calculations are presented for proton collisions from methane molecules and the DNA/RNA nucleobases adenine, cytosine, guanine, thymine, and uracil. We…Hans Juergen Luedde, Marko Horbatsch, Tom Kirchner·Jul 15, 2019SaveLearn
The most stable isomer of H2C4-(OCS)2 van der Waals complex: Theory and experiment agree on a structure with C2 symmetryWe report the infrared spectrum of H2C4-(OCS)2 trimer in the region of the nu1 fundamental vibration of the OCS monomer. The van der Waals complexes are generated in a supersonic slit-jet…A. J. Barclay, A. Pietropolli Charmet, N. Moazzen-Ahmadi·Jul 12, 2019SaveLearn
Photoemission from hybrid states of Cl@C60 before and after a stabilizing charge transferPhotoionization calculations of the endofullerene molecule Cl@C60 with an open-shell chlorine atom are performed in the time-dependent local density approximation (TDLDA) based on a spherical…Dakota Shields, Ruma De, Mohamed El-Amine Madjet et al.·Jul 10, 2019SaveLearn
Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionizationDimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond…Constant Schouder, Adam S. Chatterley, Florent Calvo et al.·Jul 6, 2019SaveLearn
Molecular size effects on diffraction resonances in positronium formation from fullerenesWe previously predicted [P.A. Hervieux et al., Phys. Rev. A 95, 020701 (2017)] that owing to predominant electron capture by incoming positrons from the molecular shell, C60 acts like a…Paul-Antoine Hervieux, Anzumaan R. Chakraborty, Himadri S. Chakraborty·Jul 1, 2019SaveLearn
Far-from-equilibrium dynamics of angular momentum in a quantum many-particle systemWe use laser-induced rotation of single molecules embedded in superfluid helium nanodroplets to reveal angular momentum dynamics and transfer in a controlled setting, under far-from-equilibrium…Igor N. Cherepanov, Giacomo Bighin, Lars Christiansen et al.·Jun 28, 2019SaveLearn