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 ...
Structure of Iridium (Ir) dimer complex showing an Ir-Ir bonding molecular orbital populated (left) and an Ir-Ir anti-bonding molecular orbital depopulated (right) by optical excitation. Attractive ...
"Since energy derivative calculations are used for not only molecular geometry optimizations but also various calculations for molecular properties, the application of our method is expected to play a ...
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