Electrochemical Microcontact Printing of Thiolated Silicon Surfaces by Generation Of Reactive Thiolsulfinates/Sulfonates
2004 (English)In: Proceedings of 7th World Biomaterials Congress, Sydney, 17-21 May, 2004, 2004Conference paper (Refereed)
Liquid DMSO has been investigated by means of X-ray and neutron diffraction, quantum-chemical calculations and molecular dynamics (MD) simulations. A new analytical all-atom pair potential for DMSO-DMSO interactions was developed from quantum-chemical calculations and employed in the simulations. The MD-derived total structure function agrees favourably with those obtained from the X-ray and neutron diffraction experiments. An analysis of the local structure shows a rather unstructured liquid with a slight for antiparallel ordering of the S-O dipoles.
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IdentifiersURN: urn:nbn:se:uu:diva-70229OAI: oai:DiVA.org:uu-70229DiVA: diva2:98140