Error-Controlled Exploration of Chemical Reaction Networks with Gaussian Processes | Journal of Chemical Theory and Computation
Nature of the Interaction of N,N′-Diphenyl-1,4-phenylenediamine with Iron Oxide Surfaces | The Journal of Physical Chemistry C
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Early pregnancy ultrasound measurements and prediction of first trimester pregnancy loss: A logistic model | Scientific Reports
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Why Do TD-DFT Excitation Energies of BODIPY/Aza-BODIPY Families Largely Deviate from Experiment? Answers from Electron Correlated and Multireference Methods | Journal of Chemical Theory and Computation
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Reference Energies for Intramolecular Charge-Transfer Excitations | Journal of Chemical Theory and Computation
Why Do TD-DFT Excitation Energies of BODIPY/Aza-BODIPY Families Largely Deviate from Experiment? Answers from Electron Correlated and Multireference Methods | Journal of Chemical Theory and Computation
Luminescent Cationic Group 4 Metallocene Complexes Stabilized by Pendant N-Donor Groups | Inorganic Chemistry
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Effect of Exocyclic Substituents and π-System Length on the Electronic Structure of Chichibabin Diradical(oid)s | ACS Omega
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Aneuploidy renders cancer cells vulnerable to mitotic checkpoint inhibition | Nature