Zobrazeno 1 - 10
of 86
pro vyhledávání: '"Z B Güvenç"'
Publikováno v:
Physica Scripta. 74:353-361
In this study, the chaotic behaviour of Pd13 clusters is investigated in a wide total energy range. To identify interactions between atoms, the embedded atom potential is used in the computer simulation. Various analyses including power spectra, maxi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3491da76ac4f11c429ad4ccf366b1a0b
https://doi.org/10.1088/0031-8949/74/3/009
https://doi.org/10.1088/0031-8949/74/3/009
Publikováno v:
ARI - An International Journal for Physical and Engineering Sciences. 51:20-23
The reactive channel (dissociative of the molecule on the cluster) of the D2 + Ni14 collision system is studied via quasi-classical molecular dynamics (MD) computer simulations. This is analysed as functions of the initial rovibrational molecular sta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7215801106425719faa8b224f74372c8
https://doi.org/10.1007/s007770050026
https://doi.org/10.1007/s007770050026
Publikováno v:
ARI - An International Journal for Physical and Engineering Sciences. 51:24-28
Collisionless fragmentation of non-rotating super-heated small Nin, n = 4−6, clusters are studied using microcanonical molecular-dynamics simulations. Survival probabilities and global fragmentation rate constants are computed and analysed as funct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a43b95df1c9a29ce28ca6161455b9a67
https://doi.org/10.1007/s007770050027
https://doi.org/10.1007/s007770050027
Molecular dynamics study of the binding energy, sructure and melting of the isomers of Ni 8 clusters
Publikováno v:
ARI - An International Journal for Physical and Engineering Sciences. 51:15-19
Using constant-energy molecular dynamics simulations, we have studied minimum-energy geometries, binding energies and melting behaviour of Ni8 clusters employing embedded-atom potential energy surface. The melting-like transition is described in term
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1a37ee8a4d6a077da525ca3006f5ca1d
https://doi.org/10.1007/s007770050025
https://doi.org/10.1007/s007770050025
Autor:
Z. B. Güvenç, M. A. Anderson
Publikováno v:
Zeitschrift f�r Physik D Atoms, Molecules and Clusters. 36:171-183
We report results from a molecular dynamics study of small water clusters, (H2O)n=2,3,4,6,8, comparing the recent polarizable, dissociable (PD) model of Halley et al. with the central force Stillinger-Rahman (SR) model. Dynamics calculations in the m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dac1f28ecaf0836e0478d8826f678cd1
https://doi.org/10.1007/bf01426633
https://doi.org/10.1007/bf01426633
Publikováno v:
Zeitschrift f�r Physik D Atoms, Molecules and Clusters. 35:51-55
A detailed evaluation of the structural and dynamical properties of isolated water dimers and tetramers using the Lemberg, Stillinger and Rahman potential energy surface and microcanonical molecular dynamics simulations are reported. The lowest-energ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ec61acbf46357d9fd65ddfd460e9c4de
https://doi.org/10.1007/bf01439982
https://doi.org/10.1007/bf01439982
Publikováno v:
Physical Review B. 42:3907-3925
Realistic theoretical approximation schemes for the calculation of phonon and vibrational-rotational (triatomic) molecule--crystal-surface inelastic scattering were derived from the formulation in the preceding paper. These schemes can be adopted to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd1fdb7ad39b0d0124d7f404b1c956cb
https://doi.org/10.1103/physrevb.42.3907
https://doi.org/10.1103/physrevb.42.3907
Autor:
Z. B. Güvenç, J. Jellinek
Publikováno v:
The Synergy Between Dynamics and Reactivity at Clusters and Surfaces ISBN: 9789401040600
Structure and reactivity are aspects common to surface science, organo- and inorganometallic chemistry, and to the relatively new field of cluster research. Here we use the term cluster to designate bare (“neet”, “naked”) clusters of like ato
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a2cfed9988d738e36590743800570d46
https://doi.org/10.1007/978-94-011-0133-2_15
https://doi.org/10.1007/978-94-011-0133-2_15
Autor:
J. Jellinek, Z. B. Güvenç
Publikováno v:
Physics and Chemistry of Finite Systems: From Clusters to Crystals ISBN: 9789401726474
Results of a quasiclassical simulation study pertaining to the qualitative and quantitative aspects of the mode-selectivity and structure-reactivity correlation in the dissociative adsorption of a D2 molecule on a Ni13 cluster are presented. The role
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::40d8a4a75ab019869b64d39a180138c4
https://doi.org/10.1007/978-94-017-2645-0_141
https://doi.org/10.1007/978-94-017-2645-0_141
Publikováno v:
Physics and Chemistry of Finite Systems: From Clusters to Crystals ISBN: 9789401726474
The meltinglike behavior of Nin, n=12,13,14,19 clusters is studied using molecular dynamics simulations. The cohesion in clusters is modelled by an embedded-atom potential incorporating many-body effects. The features of the phase change transition d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cc527c523961d27fa30359a53b881f48
https://doi.org/10.1007/978-94-017-2645-0_52
https://doi.org/10.1007/978-94-017-2645-0_52