2. Preparation of samarium oxide nanoparticles and its catalytic activity on the esterification. Patrizia Calaminici and Roberto Mejia-Olvera . The 0+u(6 3P1)←X0+g spectrum of Hg2 excited in a supersonic jet. 2 Gas-phase chemical kinetics of small metal clusters: developmen and characterization of a fast-flow reactor for neutral clusters. Transition metal clusters are molecules containing three or more metal atoms that are connected by direct metal-metal bonds. ) using DFT methods for nanotechnological applications. G. M. Koretsky,, K. P. Kerns,, G. C. Nieman,, M. B. Knickelbein, and. Relaxation to the global minimum is easiest for PES’s consisting of a single funnel (a set of convergent pathways which lead to the global minimum) with low barriers and a significant potential energy gradient towards the global minimum. Electronic structures of Pd Stability of small Pdn (n=1–7) clusters on the basis of structural and electronic properties: A density functional approach. n S. Tazibt, A. Chikhaoui, S. Bouarab, and A. Vega . size range for real nickel clusters this would help to ex-, plain the difficulties experienced by Riley and coworkers, have estimated the number of binding sites for nitrogen, with a coordination number of four or less binds two N, nickel atoms with a coordination number of nine, ordered morphology the differentiation between nearest, neighbours and next-nearest neighbours is, ever, this differentiation becomes ambiguous for the dis-, The magnetic moments of size-selected nickel clusters, it is difficult to decipher the structural infor, is contained in other features of the magnetic moment. E. Czuchaj, F. Rebentrost, H. Stoll, H. Preuss. Reaction of Benzene Molecule on Size-Selected Nickel Cluster Ions. n Interatomic potentials of metal dimers: probing agreement between experiment and advanced Find more information about Crossref citation counts. Interaction of –CClx (x=1–3) with Ru2 and RuSn dimers: a density functional study. Klotzbücher, J. Smets. Viktoras Dryza, Jason F. Alvino and Gregory F. Metha. Periodic table of 3d-metal dimers and their ions. You do not have JavaScript enabled. Giant Magnetic Moments and Magnetic Bistability of Stoichiomatric MnO Clusters. n Transition metal–chalcogenide clusters, here defined as polynuclear complexes with multiple metal–chalcogenide (S, Se, Te) bonds, have been investigated for some time as mimics or molecular analogues of chalcogenide minerals. ( n Reaction mechanism of the preferential oxidation of the CO reaction in an H2 stream over Cu–Ni bimetallic catalysts: A computational study. 2 For the small clusters, when bond-directionality effects are important, popular spherically symmetric potential models such as embedded atom method (EAM) [39,40] or its variants like Sutton-Chen (SC), Understand the changes energy landscape undergo upon sequence mutations in proteins and nucleic acids, with focus on multifuncitonal energy landscapes, Understand misfolding based on the exploration of energy landscapes for biomolecules Transition metal clusters are molecules containing three or more metal atoms that are connected by direct metal-metal bonds. Development of a modified embedded atom method for bcc transition metals. B. G. Schmid, R. Pfeil, R. Boese, F. Bandermann, A. Sachdev, R. I. Masel and J. ure technologies, e.g., 1) the alternative and sustainable energy sector; 2) the development of H2 sensors; 3) for electrochemistry, hydrogen adsorption represent processes of fundamental importance involved in the Tafel and Volmer reactions of electrochemical oxidation; 4) the catalysis in the fine chemicals synthesis for the food, pharmaceutical, cosmetological, and fragrance industries. Gold Cluster Electronic Radiative Cooling and Abundances. band system of jet‐cooled V Investigation of the use of density functionals in second- and third-row transition metal dimer calculations. On the ground state structure of neutral Cun (n=12,14,16,18,20) clusters. Calculated turnover frequency (TOF) is among the best compared with some other dehydrogenation catalysts reported previously. The lower electronegativity of heavy chalcogenides means that transition metal clusters of these elements generally exhibit enhanced coupling, delocalization, and redox-flexibility. 2 Removing lead ions from water by using nanocomposite (rare earth oxide/alumina). E. C. Honea, J. S. Kraus, J. E. Bower, M. F. Jarrold. Difference in the Formation of Two Structural Types of V-Shaped MII3 Clusters: Diffraction, Mass Spectrometry, and Magnetism. ESR spectra of the matrix-isolated ions. Roger D. Van Zee, Stephen C. Blankespoor, Timothy S. Zwier. Award Recipient: Prof. Hiroharu Suzuki Low, Simon R. Bare. Stability of Molecules and Clusters Studied Through First-Principles Total Energy Calculations. 2. Alexander Volk, Philipp Thaler, Markus Koch, Evelin Fisslthaler, Werner Grogger, Wolfgang E. Ernst. L. M. Wei, P. Li, L. W. Qiao, K. T. Tang. Assessment of B3LYP combined with various ECP basis sets for systems containing Pd, Sn, and Pb. M. M. Zhong, X. Y. Kuang, Z. H. Wang, Y. F. Li, Y. R. Zhao, A. J. Mao. Chemically induced changes in the magnetic moments in transition metal monomers and dimers. S. K. Loh, David A. Hales, Li Lian, P. B. Armentrout. Natarajan Sathiyamoorthy Venkataramanan. Structural stability and electronic state of transition metal trimers.