How to Write a Neutron Beamtime Proposal… and be Successful! The ISIS Neutron and Muon Source, located at the STFC Rutherford Appleton Laboratory in Oxfordshire, is a premier facility for research in the physical and life sciences, managed by the Science and Technology Facilities Council, part of UK Research and Innovation (UKRI). It generates neutron…
Uncovering the Secrets of Egyptian Blue Using Neutron Analysis New research on Egyptian Blue was recently featured on the “Science Highlights at ISIS” website. Researchers from CICECO and ISIS, led by Mariela Martins Nolasco and Mariana Coimbra, developed a new model of cuprorivaite (commonly known as Egyptian Blue) through a combination of experimental and computational…
Astroquímica: A Identificação de Moléculas pela Luz das Estrelas. Abstract Astrochemistry is the science that studies atoms, molecules and chemical reactions in outer space. Through Astrochemistry we now know that space is full of molecules and that many molecules on planet Earth were formed in outer space. Let’s discuss where and how molecules are formed…
Shedding Light on Cuprorivaite, the Egyptian Blue Pigment: Joining Neutrons and Photons for a Computational Spectroscopy Study. Abstract The unique properties of Egyptian blue, a cuprorivaite pigment,were herein studied through a holistic computational and experimental approach. A reliable model of the crystal of cuprorivaite was obtained through periodic density functional theory calculations, allowing for the…
From PEF to PBF: what difference does the longer alkyl chain make? A computational spectroscopy study of poly(butylene 2,5-furandicarboxylate) Abstract This work explores the conformational preferences and the structure-property correlations of poly(butylene 2,5-furandicarboxylate) (PBF), a longer chain analogue of the most well-known biobased polyester from the furan family, poly(ethylene 2,5-furandicarboxylate) (PEF). A thorough computational spectroscopic…
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