Chemists have unexpectedly made two differently colored crystals – one orange, the other blue – from one chemical in the same flask while studying a special kind of molecular connection called an agostic bond. EMSL's supercomputer Chinook was used to perform theoretical calculations on the crystalline structures. The researchers were studying agostic bonds as part of a project to make liquid fuels from carbon dioxide to replace fuels from oil. Read the PNNL news release.
ASTM International has selected EMSL’s Don Baer to receive the 2014 Award of Merit, the organization's highest recognition. He earned the award the for his exceptional service to ASTM International Committee E42 on Surface Analysis, innovations in the development of standards for surface analysis and development of new information resources for surface analysis.
Researchers answering fundamental scientific questions in biology, climate and chemistry look to high performance computing and robust software. With its history of integrating experiment and computation, EMSL supports research into climate change, contaminated soil remediation, and energy production and storage with its Cascade supercomputer and enhanced NWChem computational chemistry software.
Scientist Nancy Washton describes the NMR and EPR Laboratory in RadEMSL (EMSL's Radiochemistry Annex) and the types of research that can be done using nuclear magnetic resonance and electron paramagnetic resonance instruments. Washton discusses why users would want to do research in NMR/EPR Laboratory and why is it important to have a facility like RadEMSL.