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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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Nanoelectronics

Nanoelectronics, News

New 1D Coordination Polymers

Pavlo Dral Nov 18, 2014 Tagged with Inorg. Chem.

In our study we reported synthesis, and experimental and theoretical characterization of new one-dimensional coordination polymers. …

New 1D Coordination Polymers Read more →

Method Development, Nanoelectronics, News, Semiempirical Methods

The Unrestricted Local Properties

Pavlo Dral Jun 24, 2014 Tagged with AM1, J. Mol. Model., local EA, local IE, SQC

Did you know that the reactivity of alkyl radicals towards H-abstraction is related to their electron …

The Unrestricted Local Properties Read more →

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