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5 Current news about the topic theoretical chemistry

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Closing in on the elusive rotational-vibrational CH5+ spectra

25-May-2016

Protonated methane, a.k.a. CH5+, is a highly unusual molecule that scientists and astronomers suspect may be found within the interstellar medium where stars and planets are formed. To identify molecules on Earth or in outer space, scientists typically record the spectrum of light absorbed -- ...

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Physicists discover flaws in superconductor theory

12-Apr-2016

University of Houston physicists report finding major theoretical flaws in the generally accepted understanding of how a superconductor traps and holds a magnetic field. More than 50 years ago, C.P. Bean, a scientist at General Electric, developed a theoretical explanation known as the "Bean ...

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Supercomputer provides new insights into the vibrations of water

Biomolecular solutes perturb choreography

25-Jun-2010

Using Terahertz spectroscopy, RUB-chemists recently detected the surprisingly long-ranged influence of solvated biomolecules on the “dance” of surrounding water molecules. With extensive simulations on a supercomputer, they now succeeded in describing this choreography in detail. In the virtual ...

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Formation of the smallest droplet of acid

New reaction mechanism at ultracold temperatures

22-Jun-2009

Exactly four water molecules and one hydrogen chloride molecule are necessary to form the smallest droplet of acid. This was the result of work by the groups of Prof. Dr. Martina Havenith (physical chemistry) and Prof. Dr. Dominik Marx (theoretical chemistry) within the research group FOR 618. ...

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Stable thanks to dynamics: DNA component resists UV radiation

25-Feb-2009

Complex computer simulations have, for the first time, allowed scientists to examine in detail the processes that help to ensure the stability of DNA when exposed to UV light. The findings, achieved primarily in relation to DNA component 9H-adenine, have been published in the Journal of the ...

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