专题:Crystallography and molecular interactions

This cluster of papers explores the diverse aspects of noncovalent interactions, including hydrogen bonding, halogen bonding, aromatic ring interactions, crystal engineering, cocrystal formation, and mechanochemistry in molecular crystals and supramolecular chemistry.
最新文献
Advancing the concept of exchange charge density: a theoretical extension in terms of the Fermi hole density and the development of a form within the local density approximation

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M-CODE v1.0: A Minimal Deterministic Numeric System for Molecular Representation

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Coaxing stubborn molecules into crystals with a silver triangle

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Crystalline mate strategy for berberine hydrochloride: solvent-polarity-tuned co-crystallization

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Anatomy and formation of Br···O=C halogen and nonclassical hydrogen bonds and $$\pi$$···$$\pi$$ stacking: insights from the conservative electronic force fields in the molecular crystal and the supermolecule of 1-(5-bromopyridin-2-yl)ethan-1-one

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Quantum chemical-based exploration of the interactions between Ofloxacin medicine and various metal cations

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Visible-Light-Regulated Supramolecular Dendritic Organogels Based on Halogen Bonding

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Hartree–Fock density functional theory works through error cancellation for the interaction energies of halogen and chalcogen bonded complexes

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From NH + Chemical Shifts to Chemical Insights: A 1 H NMR Spectroscopic Window into Amine p K a , Anion p K BHX, and Charge-Assisted Intramolecular H-Bond Assessment from a Medicinal Chemistry Perspective

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Sequence and chemical specificity define the functional landscape of intrinsically disordered regions

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近5年高被引文献
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

article Full Text OpenAlex 3304 FWCI314.6942

Crystal Engineering of Pharmaceutical Cocrystals in the Discovery and Development of Improved Drugs

review Full Text OpenAlex 535 FWCI135.057

Chiral Metal–Organic Frameworks

review Full Text OpenAlex 514 FWCI35.3263

Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity

article Full Text OpenAlex 420 FWCI96.5914

Mechanical properties and peculiarities of molecular crystals

review Full Text OpenAlex 339 FWCI128.9649

Recognition in the Domain of Molecular Chirality: From Noncovalent Interactions to Separation of Enantiomers

review Full Text OpenAlex 317 FWCI31.3255

Mechanochemistry: New Tools to Navigate the Uncharted Territory of “Impossible” Reactions

review Full Text OpenAlex 307 FWCI80.9202

Multiple hydrogen bonding driven supramolecular architectures and their biomedical applications

review Full Text OpenAlex 261 FWCI60.9495

Advancing mechanochemical synthesis by combining milling with different energy sources

review Full Text OpenAlex 258 FWCI66.4108

Improved Solubility and Dissolution Rate of Ketoprofen by the Formation of Multicomponent Crystals with Tromethamine

article Full Text OpenAlex 254 FWCI19.1469