More efficient molecular motors broaden potential applications

More efficient molecular motors broaden potential applications

Describe the structural changes during the 4-step unidirectional isomerization of a first-generation aldehyde motor, with key features located above the reaction arrow. Starting from the upper left corner, UV-induced photoisomerization …

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Molecular fingerprints beyond the Nyquist frequency

Molecular fingerprints beyond the Nyquist frequency

A visual summary of field-resolved molecular fingerprint compressed sensing. Credit: ultrafast science (2024). DOI: 10.34133/ultrafastscience.0062 Ultrashort pulses play an important role in spectroscopy applications. Their wide spectral bandwidth enables simultaneous …

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New technology could make molecular modeling easier

New technology could make molecular modeling easier

C2H4 Rotation barrier potential energy surface calculated from CASSCF(12,12)/ACSE, CCSD(T), PBE-RDMFT, SCAN-RDMFT, PBE-DFT, SCAN-DFT and CASSCF(12,12)/tPBE using cc – pVDZ basis set. Credit: Physical Review Letters (2023). DOI: 10.1103/PhysRevLett.131.243003 Like …

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