Display Settings:

Format
Items per page
Sort by

Send to:

Choose Destination

Results: 1 to 20 of 218

1.

Improved interatomic potentials for silicon-fluorine and silicon-chlorine.

Humbird D, Graves DB.

J Chem Phys. 2004 Feb 1;120(5):2405-12.

PMID:
15268380
[PubMed]
2.

Parametrization of analytic interatomic potential functions using neural networks.

Malshe M, Narulkar R, Raff LM, Hagan M, Bukkapatnam S, Komanduri R.

J Chem Phys. 2008 Jul 28;129(4):044111. doi: 10.1063/1.2957490.

PMID:
18681638
[PubMed]
3.

Molecular dynamics simulations of silicon-fluorine etching.

Darcy A, Galijatovic A, Barth R, Kenny T, Krantzman KD, Schoolcraft TA.

J Mol Graph. 1996 Oct;14(5):260-71, 278.

PMID:
9097232
[PubMed - indexed for MEDLINE]
4.

Mechanisms and energetics of hydride dissociation reactions on surfaces of plasma-deposited silicon thin films.

Singh T, Valipa MS, Mountziaris TJ, Maroudas D.

J Chem Phys. 2007 Nov 21;127(19):194703.

PMID:
18035894
[PubMed]
5.

Ab initio study of fluorine in silicon: large clusters and the dominant mobile defect.

Vollenweider K, Sahli B, Fichtner W.

Phys Rev Lett. 2009 Aug 14;103(7):075503. Epub 2009 Aug 13.

PMID:
19792658
[PubMed]
6.

First-principles theoretical analysis of silyl radical diffusion on silicon surfaces.

Bakos T, Valipa MS, Maroudas D.

J Chem Phys. 2006 Sep 14;125(10):104702.

PMID:
16999543
[PubMed - indexed for MEDLINE]
7.

Investigating bonding in small silicon-carbon clusters: exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamics.

Bertolus M, Finocchi F, Millie P.

J Chem Phys. 2004 Mar 1;120(9):4333-43. Erratum in: J Chem Phys. 2004 Jun 8;120(22):10853.

PMID:
15268603
[PubMed]
8.

Silicon monohydride clusters Si(n)H (n = 4-10) and their anions: structures, thermochemistry, and electron affinities.

Yang J, Bai X, Li C, Xu W.

J Phys Chem A. 2005 Jun 30;109(25):5717-23.

PMID:
16833904
[PubMed]
9.
10.

In situ x-ray photoelectron spectroscopic and density-functional studies of Si atoms adsorbed on a C60 film.

Onoe J, Nakao A, Hara T.

J Chem Phys. 2004 Dec 8;121(22):11351-7.

PMID:
15634092
[PubMed]
11.

The triplet state of cytosine and its derivatives: electron impact and quantum chemical study.

Abouaf R, Pommier J, Dunet H, Quan P, Nam PC, Nguyen MT.

J Chem Phys. 2004 Dec 15;121(23):11668-74.

PMID:
15634133
[PubMed - indexed for MEDLINE]
12.

A Gaussian-3 theoretical study of small silicon-lithium clusters: electronic structures and electron affinities of SinLi(-) (n = 2-8).

Hao D, Liu J, Yang J.

J Phys Chem A. 2008 Oct 16;112(41):10113-9. doi: 10.1021/jp804393k. Epub 2008 Sep 23.

PMID:
18808100
[PubMed]
13.

Transferable local pseudopotentials for magnesium, aluminum and silicon.

Huang C, Carter EA.

Phys Chem Chem Phys. 2008 Dec 21;10(47):7109-20. doi: 10.1039/b810407g. Epub 2008 Oct 20.

PMID:
19039345
[PubMed]
14.

Interactions between radical growth precursors on plasma-deposited silicon thin-film surfaces.

Bakos T, Valipa MS, Maroudas D.

J Chem Phys. 2007 Mar 21;126(11):114704.

PMID:
17381225
[PubMed]
15.
16.

Spontaneous roughening: fundamental limits in Si(100) halogen etch processing.

Herrmann CF, Chen D, Boland JJ.

Phys Rev Lett. 2002 Aug 26;89(9):096102. Epub 2002 Aug 8.

PMID:
12190417
[PubMed]
17.

Theoretical study of mixed silicon-lithium clusters Si(n)Li(p)(+) (n=1-6, p=1-2).

Sporea C, Rabilloud F, Cosson X, Allouche AR, Aubert-Frécon M.

J Phys Chem A. 2006 May 11;110(18):6032-8.

PMID:
16671672
[PubMed]
18.

Efficient silicon surface and cluster modeling using quantum capping potentials.

DiLabio GA, Wolkow RA, Johnson ER.

J Chem Phys. 2005 Jan 22;122(4):44708.

PMID:
15740284
[PubMed]
19.

Molecular dynamics implementation in MSINDO: study of silicon clusters.

Nair NN, Bredow T, Jug K.

J Comput Chem. 2004 Jul 30;25(10):1255-63.

PMID:
15139038
[PubMed]
20.

Organofluorosilanes as model compounds for 18F-labeled silicon-based PET tracers and their hydrolytic stability: experimental data and theoretical calculations (PET = positron emission tomography).

Höhne A, Yu L, Mu L, Reiher M, Voigtmann U, Klar U, Graham K, Schubiger PA, Ametamey SM.

Chemistry. 2009;15(15):3736-43. doi: 10.1002/chem.200802437.

PMID:
19267382
[PubMed - indexed for MEDLINE]

Display Settings:

Format
Items per page
Sort by

Send to:

Choose Destination

Supplemental Content

Write to the Help Desk