Computing Letters

Dedicated to the memory of Prof. Dr. Jaroslav Koutecký (1922-2005)
pp. i-i(1)
Author: Maroulis, George

Positional Isotope Effect for the Water Tetramer
pp. 145-151(7)
Author: Anick, D.J.

Tight-binding Calcium Clusters from Adaptive Tempering Monte Carlo Simulation
pp. 152-157(6)
Authors: Dong, Xiao; Gatica, Silvina M.; Blaisten-Barojas, Estela

Magnetic and spectroscopic properties of deposited transition metal clusters: A case study for Os on Fe(001)
pp. 158-163(6)
Authors: Bornemann, S.; Minár, J.; Ebert, H.

A Density Functional Study of Structures and Vibrations of Ta₃O and Ta₃O⁻
pp. 164-171(8)
Authors: Calaminici, Patrizia; Flores–Moreno, Roberto; Köster, Andreas M.

A Density Functional Study of Structure and Stability of Ni₈, Ni₈⁺ and Ni₈⁻ Cluster
pp. 172-182(11)
Authors: Calaminici, Patrizia; Beltrán, Marcela R.

Close-packing transitions in clusters of Lennard-Jones spheres
pp. 183-191(9)
Authors: Calvo, F.; Benali, M.; Gerbaud, V.; Hemati, M.

Dynamic Breaking and Restoring of Finite Water Chains inside Carbon Nanotubes
pp. 192-197(6)
Authors: Liu, Yi; Consta, Styliani

Frequency dependence of chiral carbon nanotubes electronic hyperpolarizability determined with sum over states method
pp. 198-203(6)
Author: De Dominicis, L.

Structural stability of C_mTi_n microclusters and nanoparticles: Molecular–dynamics simulations
pp. 204-209(6)
Authors: Malcıoğlu, O.B.; Erkoç, .

Density Functional Study of Beryllium Clusters
pp. 210-219(10)
Authors: Sun, Yan; Fournier, René

Dissociative and Associative Attachment of CO, N₂, and NO to Iron Clusters Fe₄, Fe₄⁻, and Fe₄⁺
pp. 220-229(10)
Authors: Gutsev, G.L.; Mochena, M.D.; Bauschlicher, C.W.

Recent progress in the computational study of transition metal doped Si clusters
pp. 230-239(10)
Authors: Han, Ju-Guang; Hagelberg, Frank

Ab initio studies on the aromaticity of mixed tetramer neutral clusters
pp. 240-245(6)
Authors: Nigam, Sandeep; Majumder, Chiranjib; Kulshreshtha, S.K.

On the performance of DFT methods on electric polarizability and hyperpolarizability calculations for the lithium tetramer
pp. 246-252(7)
Authors: Maroulis, George; Xenides, Demetrios

Interaction of Nitric Oxide and Nitric Oxide Dimer with Silver Clusters
pp. 253-258(6)
Authors: Matulis, V.E.; Ivashkevich, O.A.; Gurin, V.S.

The 2D-3D structural transition and chemical bonding in elemental boron nanoclusters
pp. 259-270(12)
Authors: Lau, Kah Chun; Pandey, Ravindra

Li and Be clusters: Structure, bonding and odd-even effects in half-filled systems
pp. 271-276(6)
Authors: Datta, Ayan; Pati, Swapan K.

Clustering of water molecules on model soot particles: an ab initio study
pp. 277-287(11)
Authors: Collignon, B.; Hoang, P.N.M.; Picaud, S.; Rayez, J.C.

Electron correlation effects in small iron clusters
pp. 288-296(9)
Authors: Rollmann, G.; Entel, P.

A theoretical study on size-dependent properties of rock-salt ZnS clusters
pp. 297-303(7)
Authors: Pal, Sougata; Goswami, Biplab; Sarkar, Pranab

Enhancement of fullerene stabilities from excited electronic states¹
pp. 304-312(9)
Authors: Slanina, Zdeněk; Uhlík, Filip; Lee, Shyi-Long; Adamowicz, Ludwik; Nagase, Shigeru

Fusion and fission of atomic clusters: recent advances
pp. 313-318(6)
Authors: Obolensky, O.I.; Solov'yov, I.A.; Solov'yov, A.V.; Greiner, W.

Structural and Electronic Properties of Gold Clusters
pp. 319-330(12)
Authors: Alamanova, Denitsa; Dong, Yi; ur Rehman, Habib; Springborg, Michael; Grigoryan, Valeri G.

Cluster Origin of the Solubility of Single-Wall Carbon Nanotubes
pp. 331-336(6)
Authors: Torrens, Francisco; Castellano, Gloria

The story of the Si₆ magic cluster
pp. 337-342(6)
Author: Zdetsis, Aristides D.

Structures and Stabilities of Small Silicon Cluster: High-Level Ab initio Calculations of Si₆
pp. 343-347(5)
Authors: Gao, Yi; Killblane, Chad; Zeng, X.C.