Simple entropies for complicated molecules

Chemists of the University of Bonn developed a computational tool for the analysis of conformational entropies of flexible molecules. Their method enables the thermodynamic investigation of complicated chemical systems by ...

Scholar to discuss the applications of quantum technology

Northwestern University's Danna Freedman will share novel insights on quantum chemistry's ability to unlock access to molecules and open new fields of study at the American Association for the Advancement of Science (AAAS) ...

Insights through atomic simulation

A recent special issue of the Journal of Chemical Physics highlights Pacific Northwest National Laboratory's (PNNL) contributions to developing two prominent open-source software packages for computational chemistry used ...

Chemists synthesize 'flat' silicon compounds

Chemists at the University of Bonn (Germany) have synthesized extremely unusual compounds. Their central building block is a silicon atom. Different from usual, however, is the arrangement of the four bonding partners of ...

Rate prediction for homogeneous nucleation of methane hydrate

Methane hydrates are the single biggest source of fossil fuel on planet earth and play a role in climate change. The molecular process of their formation is not known and heavily debated. In a paper in the Journal of Physical ...

Sustainable chemistry at the quantum level

Developing catalysts for sustainable fuel and chemical production requires a kind of Goldilocks Effect—some catalysts are too ineffective while others are too uneconomical. Catalyst testing also takes a lot of time and ...

New insight into the Great Dying

A new study shows for the first time that the collapse of terrestrial ecosystems during Earth's most deadly mass extinction event was directly responsible for disrupting ocean chemistry.

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