organometallic

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Electronic lab notebook for organic chemistry

chemistry notebook lab electronic organic peptide organometallic

OM-Diff: Inverse-design of organometallic catalysts with guided equivariant denoising diffusion

🌱 Computational SI for the publication 'INSERT NAME.' doi:

dft quantum-chemistry nitrogen pcm orbitals n2 nitrogen-fixation organometallic b3lyp

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