Article-Journal

Shannon and Rényi Entropies of Molecular Densities Under Atomic Partitioning: Insights Into Extensity and an Incomplete Description of Electron Correlation
ABSTRACT In this work, we investigate the reliability of information‐theoretic measures based on the electron‐density and …
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A Homobimetallic Frustrated Lewis Pair Cobalt Catalyst for the Methanolysis of Hydrosilanes
Abstract The bimetallic Co(I)/Co(–I) complex [Co(CO) 2 (κ 3 ‐ P , N , P ‐PN H P)][Co(CO) 4 ] ( 1 ) has shown excellent activities in …
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Can we talk about ionic bonds in molecules? Yes, just as we do for covalent bonds
A claim that ionic bonds exist only in ionic solids is critically analyzed by focusing on the controversial LiH molecule.
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Disposable electrochemical aptasensor for rapid and selective vancomycin detection in clinical samples: Bridging affinity selection, computational modeling and clinical validation
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Effect of Explicit Hydration on the Cisplatin Reaction Mechanism with Adenine and Guanine
Cisplatin is still a first-line agent in cancer treatment due to its effectiveness. Despite the large body of research concerning this …
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Enhancing the resonance light scattering of DNA by Be2+ ions and in combination with other metals
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Exhaustive Spatial Sampling for Complete Topology of the Electrostatic Potential
ABSTRACT This work presents a robust and efficient algorithm for exhaustively determining the critical points (CPs) of the molecular …
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Hemilability Modulation via Phosphane-Triazole Ligand Design: Impact on Catalytic Formic Acid Dehydrogenation
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Interacting Quantum Atoms Analysis of Covalent and Collective Interactions in Single Elongated Carbon–Carbon Bonds
Chemical bonds among carbon atoms are central to chemistry. A general working principle regarding these interactions is that these …
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Linnett is Back: Chemical Bonding through the Lens of Born Maxima
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