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A method to predict binary eutectic mixtures for mechanochemical syntheses and cocrystallizations

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Prediction of solution phase association constants by mapping contact points in intermolecular complexes

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The temperature-dependence of host–guest binding thermodynamics: experimental and simulation studies

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Chem. Sci., 2023, 14, 11818
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Prediction of CO2 adsorption properties of azo, azoxy and azodioxy-linked porous organic polymers guided by electrostatic potential

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Substituent effects on aromatic interactions in water

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Cooperativity in the assembly of H-bonded duplexes of synthetic recognition-encoded melamine oligomers

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Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution

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Solvation energies from atomic surface site interaction points

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Thermodynamics of Water Displacement from Binding Sites and its Contributions to Supramolecular and Biomolecular Affinity

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Solvation-Enhanced Salt Bridges

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Synthesis and structural characterization of nickel(II) coordination complexes with mixed-ligand systems: exploring π−π stacking and hydrogen bonding in supramolecular assemblies

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Light‐Up Fluorescence and Circularly Polarized Luminescence in Achiral Interlocked Framework via Adaptive Lone Pair‐π Interaction Confinement

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Advanced Science, 2024, 11
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Dual regulation of surface electronegativity and interlayer structural feature in fluorinated COFs for efficient gold recovery

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Inter-Pol: An Interpretable Machine Learning Framework for Solvent Polarity Prediction

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Template-Directed Synthesis of Recognition-Encoded Melamine Oligomers Using a Base-Filling Strategy

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Triazoles in Medicinal Chemistry: Physicochemical Properties, Bioisosterism, and Application

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Atroposelective Suzuki–Miyaura Coupling to Form 2‐Amino‐2′‐Hydroxybiphenyls Enabled by sRuPhos

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Novel Cd(II) complex bearing naproxen and imidazole ligands: Synthesis, single-crystal X-ray, structural elucidation, quantum chemical investigation, molecular docking, antioxidant and antimicrobial screening

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Modulation of Tannic Acid on the Cholesteric Structure of Cellulose Nanocrystals

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Stably Grafting Polymer Brushes on Both Active and Inert Surfaces Using Tadpole-Like Single-Chain Particles with an Interactive “Head”

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Revisiting the Nature of Frequencies Shifted to Red or Blue in the LiH⋯HX Complexes (X = F, Cl, CN, and CCH) and the Role of the Dihydrogen Bond Strength

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2D Plasmonic Molecules via Hydrogen Bond Interaction between Polymer‐Grafted Nanoparticles

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Atroposelective Suzuki–Miyaura Coupling to Form 2‐Amino‐2′‐Hydroxybiphenyls Enabled by sRuPhos

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Prediction of Protein–Ligand Binding Affinities Using Atomic Surface Site Interaction Points

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Calix[5]arene Self‐Folding Cavitands: A New Family of Bio‐Inspired Receptors with Enhanced Induced Fit Behavior

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Investigation of Supramolecular Self-Assembly in Sn(IV)-5,10,15,20-tetra(4-bromo-2,6-difluorophenyl) Porphyrins Mediated through Activated Sigma Hole

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Toward Chiral Recognition by Design: Uncovering the Self-Enantioresolving Properties of Chiral Amine Derivatives

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Transcending Lifshitz Theory: Reliable Prediction of Adhesion Forces between Hydrocarbon Surfaces in Condensed Phases Using Molecular Contact Thermodynamics

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Sub‐Nanometer Mono‐Layered Metal–Organic Frameworks Nanosheets for Simulated Flue Gas Photoreduction

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Thermodynamics of Water Displacement from Binding Sites and its Contributions to Supramolecular and Biomolecular Affinity

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Zwitterionic Aqua Palladacycles with Noncovalent Interactions for meta-Selective Suzuki Coupling of 3,4-Dichlorophenol and 3,4-Dichlorobenzyl Alcohol in Water

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Carbene-Catalyzed Phthalide Ether Functionalization for Discovering Chiral Phytovirucide that Specifically Targets Viral Nia Protein to Inhibit Proliferation

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Role of explicit hydrogen bonding in solvation calculation on the photophysics of 2-(2′-Hydroxyphenyl)oxazolo[4,5-b]pyridine

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Effect of Substituents on Molecular Reactivity during Lignin Oxidation by Chlorine Dioxide: A Density Functional Theory Study

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Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size

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Theoretical Insight into Non-Covalent Complexes of Closo-Borate Anions [BnHn−1X]y− with Glycine

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Unraveling the Cryoprotective Molecular Mechanisms of Antifreeze Peptides: New Insights from Simultaneous Interactions with Ice Crystals and Lactalbumin Proteins

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Exploring the Co-Crystallization Landscape of One-Dimensional Coordination Polymers Using a Molecular Electrostatic Potential-Driven Approach

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Deep eutectic supramolecular polymerization networks modified acryloylated magnetic β-CD for efficient adsorption and removal of ofloxacin and tetracycline from water: Performance and mechanism

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2D Plasmonische Moleküle durch Wasserstoffbrückenbindungen zwischen polymerbeschichteten Nanopartikeln

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Non-covalent interactions in action: Advancing eutectogels for enhanced stability and performance

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RIV-type AIEgens: progress, structures and functionalities

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Durable Nanocellulose-Stabilized Emulsions of Dithizone/Chloroform in Water for Hg2+ Detection: A Novel Approach for a Classical Problem

Roberto J. Aguado, André Mazega, Núria Fiol, Quim Tarrés, Pere Mutjé and Marc Delgado-Aguilar

ACS Appl. Mater. Interfaces, 2023, 15, 12580
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Self-assembled thymol-betaine co-crystals with controlled release and hygroscopic properties as green preservatives for aflatoxin prevention

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Food Chemistry, 2024, 456, 140037
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