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

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Synthesis, crystal, electronic, and supramolecular characterization of new 1,2-bis(1-(5-bromothiophen-2-yl)ethylidene)hydrazine (5BEH): Insights from XRD, DFT, Hirshfeld analysis, molecular docking, and ADMET studies

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Key contemporary considerations for halogens in drug discovery

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Pseudoatomic charge constraints and force-field flux relations governing local charge redistribution in electron–nuclear systems. An electronic-force-based insight into interatomic binding in diborane

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Progress in mechanochemical synthesis of catalysts for the CO 2 processes: a step towards carbon neutrality

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Open Molecular Crystals 2025 (OMC25) dataset and models

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Investigating the Role of Noncovalent Interactions in Vadadustat's Solubility and Stability With Selected Solvents

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Development of local natural orbital arbitrary order coupled cluster methods and assessment through connected quadruples

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“Ensemblization” of density functional theory

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Influence of anion on the solid-state assembly of dimeric tweezer complexes

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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 3083 FWCI313.9631

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

review Full Text OpenAlex 508 FWCI134.4819

Chiral Metal–Organic Frameworks

review Full Text OpenAlex 499 FWCI35.1921

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

article Full Text OpenAlex 383 FWCI95.8964

Mechanical properties and peculiarities of molecular crystals

review Full Text OpenAlex 321 FWCI128.7329

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

review Full Text OpenAlex 301 FWCI31.1642

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

review Full Text OpenAlex 296 FWCI80.5757

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

article Full Text OpenAlex 254 FWCI18.8088

Advancing mechanochemical synthesis by combining milling with different energy sources

review Full Text OpenAlex 247 FWCI66.137

Multiple hydrogen bonding driven supramolecular architectures and their biomedical applications

review Full Text OpenAlex 233 FWCI61.1247