Journal ArticleDOI
Handbook of He(I) photoelectron spectra of fundamental organic molecules : K. Kimura, S. Katsumata, Y. Achiba, T. Yamazaki and S. Iwata, 1981, Japan Scientific Societies Press, Tokyo, ISBN 4-7622-0263-X and Halsted Press, New York, 268 pp., US $44.95, ISBN 0-470-27200-7.
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This article is published in Journal of Electron Spectroscopy and Related Phenomena.The article was published on 1982-01-01. It has received 858 citations till now.read more
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‘‘Ab initio’’ liquid water
TL;DR: An ab initio molecular dynamics simulation of liquid water has been performed using density functional theory in the Kohn-Sham formulation and a plane wave basis set to determine the electronic structure and the forces at each time step.
Journal ArticleDOI
New model for electron-impact ionization cross sections of molecules
W. Hwang,Y.‐K. Kim,M. E. Rudd +2 more
TL;DR: In this article, the binary encounter Bethe (BEB) model is applied to neutral molecules, which combines the binary-encounter theory and the Bethe theory for electron impact ionization, and uses minimal theoretical data for the ground state of the target molecule.
Journal ArticleDOI
Interface Dipoles Arising from Self-Assembled Monolayers on Gold: UV−Photoemission Studies of Alkanethiols and Partially Fluorinated Alkanethiols
Dana M. Alloway,Michael Hofmann,Michael Hofmann,Darrin L. Smith,Nadine E. Gruhn,Amy L. Graham,Ramon Colorado,Vicki H. Wysocki,T. Randall Lee,Paul A. Lee,Neal R. Armstrong +10 more
TL;DR: In this paper, the effect of alkanethiols on the effective work function of gold surfaces was analyzed using X-ray photo-electron spectroscopy, showing an exponential decrease in emission intensity versus alkyl chain length.
Journal ArticleDOI
Molecular Structure of 3-Aminopropyltriethoxysilane Layers Formed on Silanol-Terminated Silicon Surfaces
Robert G. Acres,Amanda V. Ellis,Jason F. Alvino,Claire E. Lenahan,Dmitriy A. Khodakov,Gregory F. Metha,Gunther G. Andersson +6 more
TL;DR: In this article, the 3-aminopropyltriethoxysilane (APTES) was used in the silanization reaction with silanol-terminated silicon.
Journal ArticleDOI
A comparison of weak molecular adsorption of organic molecules on clean copper and platinum surfaces
B.A. Sexton,A.E. Hughes +1 more
TL;DR: In this article, the heat of adsorption as a function of molecular size, the contributions from the oxygen lone pair bond in alcohols and ethers, and the Van der Waals attraction of the alkane chains to the surface can be separated.