Gold Microclusters (Aun; n = 3–13): A Molecular Dynamics Computer Simulation

El-Bayyari, Z.

doi:10.1007/978-3-642-59406-9_7

Cited by 4 publications

(2 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Precious metals in nano-size form like Ag and Au nanoparticles (NPs) are out of all kinds of nanoparticles that attracted many scientists due to their potential application indeed. The size and morphology of these NPs play a crucial role in predicting their physical properties such as optical and plasmon resonance properties which suggest that they will have multiple applications across both therapeutics and diagnostics in the field of nanomedicine [1,2]. Modern nanomedicine nowadays has begun evaluating the use of (Au-NPs) in medicine and many specific functional studies are addressing issues such as potential toxicity [3], cellular trafficking [4][5][6][7], optimization in building multi-…”

Section: Opinionmentioning

confidence: 99%

Nanotechnology and Nanomedicine

Uglea¹

2013

Polymeric Nanomedicines

View full text Add to dashboard Cite

Section: Opinionmentioning

confidence: 99%

Nanotechnology and Nanomedicine

Uglea¹

2013

Polymeric Nanomedicines

View full text Add to dashboard Cite

“…Electronic and quantum mechanical properties of this type of nanoparticle are structure dependent. In order to understand the microstructure of the gold nanoparticle, computer simulation [14][15][16] was carried out in this paper.…”

Section: Introductionmentioning

confidence: 99%

Computer Simulation of a Gold Nanoparticle Coated by Thiol‐Terminated Hydroquinonyl Oligoethers

Yin

Xia

Xü

et al. 2003

Macro Theory & Simulations

View full text Add to dashboard Cite

Molecular dynamics simulations were carried out to investigate the structure of a gold‐nanoparticle including 169 Au atoms coated by 42 thiol terminated hydroquinonyl oligoether chains. Three nanoparticle systems were constructed and investigated for structural comparison. The simulation showed that in all three nanosystems thiol‐chains self‐assembled on the surface of the gold cluster to form a stable gold nanoparticle. The configurations of the thiol chains and stacking of the phenylene rings were analyzed. The thiol‐chains are bundled into groups. Each group contains no more than four chains, in which phenylene rings in the thiol‐chains are correlated in parallel and perpendicular forms. Simple quantum mechanical calculations are carried out to elucidate the correlation of the phenylene rings.A snapshot of a TTOE‐Au nanoparticle.magnified imageA snapshot of a TTOE‐Au nanoparticle.

show abstract

Molecular simulation of inner structure of a self assembled gold cluster passivated with thiol-terminated asymmetric hydroquinonyl oligoethers

Yin

Xia

et al. 2004

Journal of Molecular Structure: THEOCHEM

View full text Add to dashboard Cite

Gold Microclusters (Aun; n = 3–13): A Molecular Dynamics Computer Simulation

Cited by 4 publications

References 27 publications

Nanotechnology and Nanomedicine

Nanotechnology and Nanomedicine

Computer Simulation of a Gold Nanoparticle Coated by Thiol‐Terminated Hydroquinonyl Oligoethers

Molecular simulation of inner structure of a self assembled gold cluster passivated with thiol-terminated asymmetric hydroquinonyl oligoethers

Contact Info

Product

Resources

About