Dynamics of fragmentation and multiple vacancy generation in irradiated single-walled carbon nanotubesThe results from mass spectrometry of clusters sputtered from Cs+ irradiated single-walled carbon nano-tubes (SWCNTs) as a function of energy and dose identify the nature of the resulting damage in…Sumera Javeed, Sumaira Zeeshan, Shoaib Ahmad·Sep 23, 2016SaveLearn
Mass spectrometric identification of C60 fragmentation regimes under energetic Cs+ bombardmentThree C60 fragmentation regimes in fullerite bombarded by Cs+ are identified as a function of its energy. C2 is the major species sputtered at all energies. For E(Cs+) < 1 keV C2 emissions dominate.…Sumaira Zeeshan, Sumera Javeed, Shoaib Ahmad·Sep 7, 2016SaveLearn
Evolution of clusters in energetic heavy ion bombarded amorphous graphiteCarbon clusters have been generated by a novel technique of energetic heavy ion bombardment of amorphous graphite. The evolution of clusters and their subsequent fragmentation under continuing ion…M. N. Akhtar, Bashir Ahmad, Shoaib Ahmad·Sep 7, 2016SaveLearn
Fission of Multiply Charged Cesium and Potassium Clusters in Helium Droplets - Approaching the Rayleigh LimitElectron ionization of helium droplets doped with cesium or potassium results in doubly and, for cesium, triply charged cluster ions. The smallest observable doubly charged clusters are Cs92+…Michael Renzler, Martina Harnisch, Matthias Daxner et al.·Sep 5, 2016SaveLearn
Experimental evidence for the influence of charge on the adsorption capacity of carbon dioxide on charged fullerenesWe show, with both experiment and theory, that adsorption of CO2 is sensitive to charge on a capturing model carbonaceous surface. In the experiment we dope superfluid helium droplets with…Stefan Ralser, Alexander Kaiser, Michael Probst et al.·Sep 5, 2016SaveLearn
Dipolar dissociation dynamics in electron collisions with oxygen moleculesThe dipolar dissociation of molecular oxygen due to 21-35 eV energy electron collision has been studied using the time sliced velocity map imaging technique. A rough estimation about the threshold of…Pamir Nag, Dhananjay Nandi·Aug 30, 2016SaveLearn
Desorption Dynamics of Rb2 Molecules off the Surface of Helium NanodropletsThe desorption dynamics of rubidium dimers (Rb2) off the surface of helium nanodroplets induced by laser excitation is studied employing both nanosecond and femtosecond ion imaging spectroscopy.…A. Sieg, J. von Vangerow, F. Stienkemeier et al.·Aug 23, 2016SaveLearn
Dipolar dissociation dynamics in electron collisions with carbon monoxideDipolar dissociation processes in the electron collisions with carbon monoxide have been studied using time of flight (TOF) mass spectroscopy in combination with the highly differential velocity…Dipayan Chakraborty, Pamir Nag, Dhananjay Nandi·Aug 19, 2016SaveLearn
The effect of chirped intense femtosecond laser pulses on the Argon clusterThe interaction of intense femtosecond laser pulses with atomic Argon clusters has been investigated by using nano-plasma model. Based on the dynamic simulations, ionization process, heating and…H. Ghaforyan, R. Sadighi, E. Irani·Aug 12, 2016SaveLearn
Comment on "K. Hansen, Int. J. Mass Spectrom. 399-400 (2016)51"The comment by K. Hansen suggests that the time-of-flight mass spectrometry data in one table in our paper from 2103 in IJMS should be due to a proton contamination and correspond to protons p…Leif Holmlid·Aug 2, 2016SaveLearn
Remarkable Hydrogen Storage on Beryllium Oxide Clusters: First Principles CalculationsSince the current transportation sector is the largest consumer of oil, and subsequently responsible for major air pollutants, it is inevitable to use alternative renewable sources of energies for…Ravindra Shinde, Meenakshi Tayade·Jul 25, 2016SaveLearn
Ab initio Calculations of Optical Properties of ClustersWe have performed systematic large-scale all-electron correlated calculations on boron Bn, aluminum Aln and magnesium Mgn clusters (n=2--5), to study their linear optical absorption spectra. Several…Ravindra Shinde·Jul 23, 2016SaveLearn
Elusive structure of helium trimersOver the years many He-He interaction potentials have been developed, some very sophisticated, including various corrections beyond Born-Oppenheimer approximation. Most of them were used to predict…Petar Stipanović, Leandra Vranješ Markić, Jordi Boronat·Jul 20, 2016SaveLearn
Methodology of Parameterization of Molecular Mechanics Force Field From Quantum Chemistry Calculations using Genetic Algorithm: A case study of methanolIn molecular dynamics (MD) simulation, force field determines the capability of an individual model in capturing physical and chemistry properties. The method for generating proper parameters of the…Ying Li, Hui Li, Maria K. Y. Chan et al.·Jul 14, 2016SaveLearn
Endohedrally confined hydrogen atom with a moving nucleusWe studied the hydrogen atom as a system of two quantum particles in different confinement conditions; a spherical-impenetrable-wall cavity and a fullerene molecule cage. The motion is referred to…Juan M. Randazzo, Carlos A. Rios·Jul 13, 2016SaveLearn
Stochastic TDHF in an exactly solvable modelWe apply in a schematic model a theory beyond mean-field, namely Stochastic Time-Dependent Hartree-Fock (STDHF), which includes dynamical electron-electron collisions on top of an incoherent ensemble…Lionel Lacombe, Paul-Gerhard Reinhard, Eric Suraud et al.·Jul 13, 2016SaveLearn
Sub-picosecond energy transfer from a highly intense THz pulse to water: a computational study based on the TIP4P/2005 modelThe dynamics of ultrafast energy transfer to water clusters and to bulk water by a highly intense, sub-cycle THz pulse of duration ≈~150~fs is investigated in the context of force-field…Pankaj Kr. Mishra, Oriol Vendrell, Robin Santra·Jul 8, 2016SaveLearn
Towards controlling the dissociation probability by light-induced conical intersectionsLight-induced conical intersections (LICIs) can be formed both by standing or by running laser waves. The position of a LICI is determined by the laser frequency while the laser intensity controls…András Csehi, Gábor J. Halász, Lorenz S. Cederbaum et al.·Jul 8, 2016SaveLearn
Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensityWe present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the…Malik Muhammad Abdullah, Zoltan Jurek, Sang-Kil Son et al.·Jul 7, 2016SaveLearn
Photoabsorption in Sodium Clusters: First Principles Configuration Interaction CalculationsWe present systematic and comprehensive correlated-electron calculations of the linear photoabsorption spectra of small neutral closed- and open-shell sodium clusters (Nan, n=2-6), as well as…Pradip Kumar Priya, Deepak Kumar Rai, Alok Shukla·Jun 27, 2016SaveLearn
Optimal control with non-adiabatic Molecular Dynamics: application to the Coulomb explosion of Sodium clustersWe present an implementation of optimal control theory for the first-principles non-adiabatic Ehrenfest Molecular Dynamics model, which describes a condensed matter system by considering classical…Adrián Gómez Pueyo, Jorge A. Budagosky M., Alberto Castro·Jun 24, 2016SaveLearn
Resonant spectra of quadrupolar anionsIn quadrupole-bound anions, an extra electron is attached at a sufficiently large quadrupole moment of a neutral molecule, which is lacking a permanent dipole moment. The nature of the bound states…K. Fossez, Xingze Mao, W. Nazarewicz et al.·Jun 15, 2016SaveLearn
Imaging the Breakdown of Molecular-Frame Dynamics through Rotational UncouplingWe demonstrate the breakdown of molecular-frame dynamics induced by the uncoupling of molecular rotation from electronic motion in molecular Rydberg states. We observe this non-Born-Oppenheimer…Lucas J. Zipp, Adi Natan, Philip H. Bucksbaum·Jun 8, 2016SaveLearn
Correlation effects and orbital magnetism of Co clustersRecent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to…L. Peters. I. Di Marco, O. Grånäs, E. Şaşıoğlu et al.·May 31, 2016SaveLearn
Magnetism and exchange interaction of small rare-earth clusters; Tb as a representativeHere we follow, both experimentally and theoretically, the development of magnetism in Tb clusters from the atomic limit, adding one atom at a time. The exchange interaction is, surprisingly,…Lars Peters, Saurabh Ghosh, Biplab Sanyal et al.·May 31, 2016SaveLearn