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RESEARCH PAPER · Structural Chemistry · 2026

Electron delocalization as a design principle in functional materials: from molecular structure to macroscopic properties

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Electron delocalization as a design principle in functional materials: from molecular structure to macroscopic propertiesOriginalTheoretical Investigation of the Electronic Structure and Reactivity of F-, Cl-, and Br- Substituted DL-Norvaline Derivatives: A DFT and Molecular Docking Study1DMRG for Multi-Component Quantum Systems: A Symmetry-Aware and Unified Framework0

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  1. Theoretical Investigation of the Electronic Structure and Reactivity of F-, Cl-, and Br- Substituted DL-Norvaline Derivatives: A DFT and Molecular Docking Study

    Journal of Physical Chemistry and Functional Materials · 2026-06-29

    Fermin Ak, Hanifi Kebiroglu

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  2. DMRG for Multi-Component Quantum Systems: A Symmetry-Aware and Unified Framework

    Journal of Chemical Theory and Computation · 2026-09-23

    Xinyu Sun, Haibo Ma

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