A Density Functional Study of the Structure and Energetics of Small Hetero-Atomic Silicon-Carbon Nanoclusters (original) (raw)

A theoretical study of triatomic carbon-silicon mixed clusters. Relative energies and binding energies

Peter Deutsch

Chemical Physics Letters, 1994

View PDFchevron_right

Properties of silicon-carbon mixed clusters: A systematic abinitio study

Juvencio Robles

Nanostructured Materials, 1998

View PDFchevron_right

Density-functional study of Si n C n (n = 10–15) clusters

Yuen Meng Yong

The European Physical Journal D, 2010

View PDFchevron_right

Study of electronic structures of carbon and silicon clusters

Daniela Olevano

View PDFchevron_right

Electronic Properties of Silicon - M Binary Clusters (M = C & Na)

Suehiro Iwata

MRS Proceedings, 1994

View PDFchevron_right

The structure of silicon doped intermediate size carbon clusters

Madhu Menon

The Journal of Chemical Physics, 2003

View PDFchevron_right

Between geometry, stability, and polarizability: Density functional theory studies of silicon clusters Si[sub n] (n=3–10)

Daisy Zhang

The Journal of Chemical Physics, 2004

View PDFchevron_right

Erratum: “Investigating bonding in small silicon–carbon clusters: Exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamics” [J. Chem. Phys. 120, 4333 (2004)]

Fabio Finocchi

Journal of Chemical Physics, 2004

View PDFchevron_right

Electron Affinities of Selected Hydrogenated Silicon Clusters (Si x H y , x = 1−7, y = 0−15) from Density Functional Theory Calculations

Mark Swihart

The Journal of Physical Chemistry A, 2000

View PDFchevron_right

Ab initio investigation of the stability of Si3C3 clusters and their structural and bonding features

Sigrid Peyerimhoff, Aristides Zdetsis

Zeitschrift f�r Physik D Atoms, Molecules and Clusters, 1994

View PDFchevron_right

A comparative ab initio study of the Si2C4, Si3C3, and Si4C2 clusters

Aristides Zdetsis, Sigrid Peyerimhoff, Bernd Engels

The Journal of Chemical Physics, 1994

View PDFchevron_right

Ab initio structures and energetics of selected hydrogenated silicon clusters containing six to ten silicon atoms

Mark Swihart

Chemical Physics Letters, 1999

View PDFchevron_right

Atomic and Electronic Properties of Small Hydrogenated Silicon Clusters: Si6H2m and Si6H+2m+1

Ivan Štich

MRS Proceedings, 1996

View PDFchevron_right

Density-functional studies of excited states of silicon nanoclusters

Dage Sundholm

Physical Review B, 2005

View PDFchevron_right

Between geometry, stability, and polarizability: Density functional theory studies of silicon clusters Sin (n=3–10

Daisy Zhang

2004

View PDFchevron_right

Silicon clusters of intermediate size: energetics, dynamics, and thermal effects

Ivan Štich

Physical Review Letters, 2000

View PDFchevron_right

Between geometry, stability, and polarizability: Density functional theory studies of silicon clusters Si (n= 3–10)

Daisy Zhang

The Journal of chemical physics, 2004

View PDFchevron_right

Molecular dynamics study of hydrogenated silicon clusters at high temperatures

Alexander Galashev

Molecular Physics, 2009

View PDFchevron_right

Structure of nanoscale silicon clusters

Ursula Rothlisberger

Physical Review Letters, 1994

View PDFchevron_right

Structures and Stabilities of Clusters of Si 12 , Si 18 , and Si 20 Containing Endohedral Charged and Neutral Atomic Species

Md Delwar Hossain

The Journal of Physical Chemistry C, 2007

View PDFchevron_right

Silicon clusters - Molecular Engineering Group's Homepage

Aristides Zdetsis

2007

View PDFchevron_right

Theoretical study of the structural evolution of small hydrogenated silicon clusters: Si6Hx

Ivan Štich

Chemical Physics Letters, 1996

View PDFchevron_right

Structures and energetics of Si6Hx and Si6H+x clusters

Ivan Štich

Surface Science, 1997

View PDFchevron_right

Vibrational spectra of tetra-atomic silicon–carbon clusters. II. Si2C2 in Ar at 10 K

Magnus Rittby

The Journal of Chemical Physics, 1995

View PDFchevron_right

Theoretical investigations on small closed-shell silicon N clusters

F. Hagelberg

Journal of Molecular Structure-theochem, 1998

View PDFchevron_right

Electronic structure and properties of neutral, anionic and cationic silicon–nitrogen nanoclusters

Adel El-Azhary

Journal of Molecular Modeling, 2013

View PDFchevron_right

Theoretical prediction of atomic and electronic structure of neutral Si[sub 6]O[sub m] (m=1–11) clusters

Marta Ferraro

The Journal of Chemical Physics, 2009

View PDFchevron_right

Nonconventional tight-binding method for the calculation of the total energy and spectroscopic energies of atomic clusters: Transferable parameters for silicon

Mark Swihart

Physical Review B, 2005

View PDFchevron_right

Size-dependent structural properties of quasi-one-dimensional silicon clusters

Asror Normurodov

physica status solidi (c), 2012

View PDFchevron_right

Thermodynamic properties of the most stable gaseous small silicon-carbon clusters in their ground states

lt Zhang

The European Physical Journal D, 2008

View PDFchevron_right

Density functional theory studies of Si36H36and C36H36nanocages

yongqiang ji

International Journal of Quantum Chemistry, 2014

View PDFchevron_right

Magic number silicon dioxide-based clusters: Laser ablation-mass spectrometric and density functional theory studies

Chen Wang

Journal of Computational Chemistry, 2005

View PDFchevron_right