Volume 1; Issue 4

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Computing Letters
Volume 1; Issue 4

Computing Letters

Volume 1; Issue 4

1

Frequency dependence of chiral carbon nanotubes electronic hyperpolarizability determined with sum over states method

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 112 KB

english, 2005

2

A Density Functional Study of Structures and Vibrations of Ta3O and Ta3O−

Calaminici, Patrizia, Flores–Moreno, Roberto, Köster, Andreas

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 2.08 MB

english, 2005

3

Structural stability of CmTin microclusters and nanoparticles: Molecular–dynamics simulations

Malcıoğlu,, Erkoç,

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 1.40 MB

english, 2005

4

Interaction of Nitric Oxide and Nitric Oxide Dimer with Silver Clusters

Ivashkevich,, Matulis,, Gurin,

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 160 KB

english, 2005

5

Close-packing transitions in clusters of Lennard-Jones spheres

Hemati,, Benali,, Gerbaud,, Calvo,

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 355 KB

english, 2005

6

Cluster Origin of the Solubility of Single-Wall Carbon Nanotubes

Torrens, Francisco, Castellano, Gloria

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 86 KB

english, 2005

7

The 2D-3D structural transition and chemical bonding in elemental boron nanoclusters

Lau, Kah Chun, Pandey, Ravindra

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 470 KB

english, 2005

8

Ab initio studies on the aromaticity of mixed tetramer neutral clusters

Kulshreshtha,, Nigam, Sandeep, Majumder, Chiranjib

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 133 KB

english, 2005

9

Structures and Stabilities of Small Silicon Cluster: High-Level Ab initio Calculations of Si6

Killblane, Chad, Zeng,, Gao, Yi

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 70 KB

english, 2005

10

Clustering of water molecules on model soot particles: an ab initio study

Rayez,, Collignon,, Picaud,, Hoang,

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 318 KB

english, 2005

11

A Density Functional Study of Structure and Stability of Ni8, Ni8+ and Ni8− Cluster

Calaminici, Patrizia, Beltrán, Marcela

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 414 KB

english, 2005

12

Dissociative and Associative Attachment of CO, N2, and NO to Iron Clusters Fe4, Fe4−, and Fe4+

Bauschlicher,, Mochena,, Gutsev,

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 499 KB

english, 2005

13

Structural and Electronic Properties of Gold Clusters

Springborg, Michael, ur Rehman, Habib, Grigoryan, Valeri, Alamanova, Denitsa, Dong, Yi

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 629 KB

english, 2005

14

Positional Isotope Effect for the Water Tetramer

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 91 KB

english, 2005

15

Density Functional Study of Beryllium Clusters

Sun, Yan, Fournier, René

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 228 KB

english, 2005

16

A theoretical study on size-dependent properties of rock-salt ZnS clusters

Sarkar, Pranab, Pal, Sougata, Goswami, Biplab

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 94 KB

english, 2005

17

Enhancement of fullerene stabilities from excited electronic states1

Lee, Shyi-Long, Uhlík, Filip, Slanina, Zdeněk, Nagase, Shigeru, Adamowicz, Ludwik

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 357 KB

english, 2005

18

Li and Be clusters: Structure, bonding and odd-even effects in half-filled systems

Pati, Swapan, Datta, Ayan

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 249 KB

english, 2005

19

Electron correlation effects in small iron clusters

Rollmann,, Entel,

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 270 KB

english, 2005

20

Recent progress in the computational study of transition metal doped Si clusters

Han, Ju-Guang, Hagelberg, Frank

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 109 KB

english, 2005

21

Fusion and fission of atomic clusters: recent advances

Solov'yov,, Greiner,, Obolensky,, Solov'yov,

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 260 KB

english, 2005

22

On the performance of DFT methods on electric polarizability and hyperpolarizability calculations for the lithium tetramer

Xenides, Demetrios, Maroulis, George

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 88 KB

english, 2005

23

Magnetic and spectroscopic properties of deposited transition metal clusters: A case study for Os on Fe(001)

Bornemann,, Minár,, Ebert,

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 163 KB

english, 2005

24

The story of the Si6 magic cluster

Zdetsis, Aristides

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 168 KB

english, 2005

25

Dedicated to the memory of Prof. Dr. Jaroslav Koutecký (1922-2005)

Maroulis, George

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 17 KB

english, 2005

26

Tight-binding Calcium Clusters from Adaptive Tempering Monte Carlo Simulation

Dong, Xiao, Blaisten-Barojas, Estela, Gatica, Silvina

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 347 KB

english, 2005

27

Dynamic Breaking and Restoring of Finite Water Chains inside Carbon Nanotubes

Consta, Styliani, Liu, Yi

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 224 KB

english, 2005

28

Special Issue Clusters: From a few atoms to nanoparticles

Maroulis, George

Journal:

Computing Letters

Year:

2005

File:

PDF, 49 KB

2005