✦ LIBER ✦

Gold adatoms and clusters on PPV: An ab initio investigation

✍ Scribed by Brito, W. H.; Silva, R. A.; Miwa, R. H.

Book ID: 118217498
Publisher: American Institute of Physics
Year: 2010
Tongue: English
Weight: 794 KB
Volume: 133
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.3506771

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio investigation of the clusterin

Ab initio investigation of the clustering of carbon adatoms on Fe(001) and Fe(111) surfaces

✍ I. V. Mutigullin; D. I. Bazhanov 📂 Article 📅 2010 🏛 Springer 🌐 English ⚖ 222 KB

Structure and Stability of Water Cluster

Structure and Stability of Water Clusters (H2O)n, n = 8−20: An Ab Initio Investigation

✍ Kulkarni, Anant D.; Gadre, Shridhar R.; Maheshwary, Shruti; Patel, Nitin; Sathya 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 334 KB

An Ab initio theoretical investigation o

An Ab initio theoretical investigation on the geometrical and electronic structures of BAun−/0 (n = 1–4) clusters

✍ Da-Zhi Li; Si-Dian Li 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 889 KB

An ab initio and AIM Study on the Molecu

An ab initio and AIM Study on the Molecular Structure and Stability of Small CuxSy- Clusters.

✍ Boris Ni; James R. Kramer; Nick H. Werstiuk 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 50 KB 👁 2 views

AN AB INITIO QUANTUM-MECHANICAL INVESTIG

AN AB INITIO QUANTUM-MECHANICAL INVESTIGATION ON THE ROTATIONAL ISOMERISM IN AMIDES AND ESTERS

✍ Perricaudet, M. ;Pullman, A. 📂 Article 📅 2009 🏛 Wiley (Blackwell Publishing) 🌐 English ⚖ 634 KB

Monte Carlo simulations of water cluster

Monte Carlo simulations of water clusters on a parallel computer using an ab initio potential

✍ Elena V. Akhmatskaya; Matthew D. Cooper; Neil A. Burton; Andrew J. Masters; Ian 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 269 KB 👁 3 views

We performed a simulation of a cluster of five water molecules at 300 K using an ab initio potential. In our first study, the interactions were calculated at the U Ž . Hartree᎐Fock level using a 6-31G basis set. A parallel big move hybrid Monte Carlo algorithm was used to conduct this modeling. We c