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Theoretical and Computational Chemistry

First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex

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Theoretical and Computational Chemistry

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Materials Chemistry

Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO2

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Biological and Medicinal Chemistry

Models for the Structure and Function of the Ethylene Receptor

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Theoretical and Computational Chemistry

Prediction of Reaction Orthogonality using Machine Learning

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Analytical Chemistry

An Interpretable and Transferrable Vision Transformer Model for Rapid Materials Spectra Classification

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