Ab initio studies of small sodium–sodium halide clusters, NanCln and NanCln−1 (n≤4)

Keywords

Stoichiometry, Halide, Chemistry, Sodium, Ab initio

References

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Cited by

• Equilibrium gas-phase structures of sodium fluoride, bromide, and iodide monomers and dimers.Manuela B. Mena Marqués — 2014
• Search for “quadrupole-bound” anions. IG. L. Gutsev, Puru Jena, Rodney J. Bartlett — 1999
• Theoretical study of (NaCl)n clustersA. Ayuela, J. M. López, J. A. Alonso — 1995
• Properties of size and composition selected gas phase alkali fulleride clustersPatrick Weis, Rainer D. Beck, Götz Bräuchle — 1994
• Excess‐electron alkali halide clusters Kn+1Cln and Lin+1Fn: A theoretical studyChristian Ochsenfeld, Reinhart Ahlrichs — 1994
• An ab initio investigation of structure and energetics of clusters KnCln and LinFnChristian Ochsenfeld, Reinhart Ahlrichs — 1994
• Extension of semiempirical methods to simulation of surfacesKarl Jug — 1996
• Production and mass spectroscopic characterization of ammonium halide clustersToshiki Sugai, Hisanori Shinohara — 1997
• Molecular dynamics study of the vaporization of an ionic drop.Nuno Galamba — 2010
• Convergence from clusters to the bulk solid: Ab initio calculations of (MgO)(x) (x=2-16) clustersXin Lü, Xin Xu, Nanqin Wang — 1999
• Photoelectron spectroscopy of copper cyanide cluster anions: on the possibility of linear and ring structuresYuichi Negishi, Tomokazu Yasuike, F. Hayakawa — 2000
• The crystal structure of peroxymyoglobin generated through cryoradiolytic reduction of myoglobin compound III during data collection.H.-P. Hersleth, Ya‐Wen Hsiao, Ulf Ryde — 2008
• Local and electronic structure of free NaCl clusters as the cluster size function: Analysis by XANES and DFT methodsG. É. Yalovega, В. А. Шматко, А. В. Солдатов — 2010
• A theoretical investigation of the geometries, vibrational frequencies, and binding energies of several mixed alkali halide dimersRobert J. Cave, Ian Ono — 1993
• Evidence for size-dependent electron delocalization in the ionization potentials of lithium monocarbide clustersPeter Lievens, P. Thoen, S. Bouckaert — 1999
• Low-dimensional systems: Quantum size effects and electronic properties of semiconductor microcrystallites (zero-dimensional systems) and some quasi-two-dimensional systemsA. D. Yoffe — 1993
• Energetics, structure and excess electrons in small sodium-chloride clustersHannu Häkkinen, R. N. Barnett, Uzi Landman — 1995
• SEMI-EMPIRICAL AND AB-INITIO CALCULATIONS OF DIATOMIC HETERONUCLEAR MOLECULES DOPED INTO CUBIC CRYSTALS: COMPARISON TO EXPERIMENTAL DATAJoachim Degen, L.O. Schwan, R. Kamphausen — 1995
• New measurements of appearance potentials and optical absorption of Na2F and Na3ODavid T. Vituccio, R. F. W. Herrmann, Oleg Golonzka — 1997
• Production and Mass-Spectroscopic Characterization of Multiple Metal-Rich Alkali Halide Ion Clusters: Novel Structures and Properties.Toshiki Sugai, Hisanori Shinohara — 2000

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