Carboxylic acid dianions (fumarate, maleate and succinate) play a role in coordination chemistry and to some extent also in the biochemistry of body cells. A team has now analyzed their electronic ...
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China supercomputer breakthrough models complex quantum chemistry at molecular scale — 37 million processor cores fuse AI and quantum science
Chinese researchers used the Oceanlite supercomputer and a custom NNQS model to simulate molecular systems with 120 spin ...
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The properties of equivalent orbitals, as defined in previous parts, are examined in more detail. It is shown that the character of an equivalent set can be deduced knowing the symmetry group of a ...
Electron orbitals show where and how electrons move around atomic nuclei and molecules. In modern chemistry and physics, they have proven to be a useful model for quantum mechanical description and ...
On Wednesday, the Nobel Prize Committee honored three researchers for their role in developing MOFs: Richard Robson for demonstrating the first MOF, and Susumu Kitagawa and Omar Yaghi for developing ...
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