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Topological graphs: a review of some of our achievements and perspectives in physical chemistry and homogeneous catalysis
Published 2024-11-01“…This paper reviews some of our developments in algorithmic graph theory, with some applications in physical chemistry and catalysis. Two levels of granularity in the topological graphs have been developed: atomistic 2D-MolGraphs and coarse-grained polygraphs of H-bonded cycles. …”
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Nanoscale ultrafast dynamics in Bi2Te3 thin film by terahertz scanning near-field nanoscopy
Published 2025-02-01Subjects: “…Physical chemistry…”
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Extracting Thin Film Structures of Energy Materials Using Transformers
Published 2024-11-01“…ACS Physical Chemistry Au…”
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Structure Characterization of a Disordered Peptide Using In-Droplet Hydrogen/Deuterium Exchange Mass Spectrometry and Molecular Dynamics
Published 2024-11-01“…ACS Physical Chemistry Au…”
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Quantum Molecular Dynamics Approach to Understanding Interactions in Betaine Chloride and Amino Acid Natural Deep Eutectic Solvents
Published 2024-11-01“…ACS Physical Chemistry Au…”
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High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP4 Monolayer
Published 2024-12-01“…ACS Physical Chemistry Au…”
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An Unexpected Water Channel in the Light-Harvesting Complex of a Diatom: Implications for the Switch between Light Harvesting and Photoprotection
Published 2024-08-01“…ACS Physical Chemistry Au…”
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Ultrafast Spectroscopy of Chemical Transformations
Published 2024-12-01“…ACS Physical Chemistry Au…”
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Exploring the Capability of Mechanically Interlocked Molecules in Anion Recognition: A Computational Insight
Published 2024-12-01“…ACS Physical Chemistry Au…”
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Redox-Gated Optical Modulation of Coumarin-Triphenyliminophosphorane Fluorophores
Published 2024-11-01“…ACS Physical Chemistry Au…”
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Is the Future of Materials Amorphous? Challenges and Opportunities in Simulations of Amorphous Materials
Published 2024-12-01“…ACS Physical Chemistry Au…”
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Electro-optic cavities for in-situ measurement of cavity fields
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