Dral's Group AI-enhanced computational chemistry | LOOKING FOR POSTDOCS WITH DIFFERENT EXPERTISE (QM AND ML METHOD DEVELOPMENT, SOLID-STATE MEHOD DEVELOPMENT, APPLICATIONS AND MORE)

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Dral's Group AI-enhanced computational chemistry | LOOKING FOR POSTDOCS WITH DIFFERENT EXPERTISE (QM AND ML METHOD DEVELOPMENT, SOLID-STATE MEHOD DEVELOPMENT, APPLICATIONS AND MORE)

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Tag: Chem. Eur. J.

Electronic Structure Calculations, Machine Learning in Chemistry, News, Semiempirical Methods

Large Cycloparaphenylene Nanolassos Characterized with AIQM1

Pavlo Dral Apr 24, 2023 Tagged with AI, Chem. Eur. J., DFT, excited states, ML, MLatom, publications, SQC, synergy between theory and experiment, UV/Vis spectra

Alkyne-embedding [11]cycloparaphenylene ([11]CPPs) was functionalized with electron-donating, -neutral, and -withdrawing aryl substituents to yield a series of nanolassos …

Large Cycloparaphenylene Nanolassos Characterized with AIQM1 Read more →

Electronic Structure Calculations, News