Distance geometry is an essential field in computational mathematics and structural biology, providing the theoretical foundation and practical algorithms required to reconstruct the three‐dimensional ...
Scientists have achieved the first real-time visualization of how 'excited-state aromaticity' emerges within just hundreds of femtoseconds and then triggers a molecule to change from bent to planar ...
On a Saturday afternoon in the fall of 2021, Silvio Decurtins was leafing through a paper with a title that could have been pulled from a comic book for mathematically inclined teens: “Plato’s Cube ...
Quantum chemistry uses quantum mechanics for the first-principle exploration of chemical systems. In principle, all chemical phenomena can be studied by solving the Schrödinger equation, the ...
In order to utilize quantum chemical calculations for chemistry and related fields, it is essential to develop geometry optimization methods for finding the most stable structure of molecules. The ...
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