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
Probing curcumin reactive conformers in keto-enol tautomerization enhanced by clustering with t-SNE

article Full Text OpenAlex

Using Mechanochemistry to Activate Poly(vinyl chloride) as a Mechanotunable Brønsted-Acid-Releasing Reagent for Organic Synthesis

article Full Text OpenAlex

More than “just a drop”: the enigmatic role of liquid additives in mechanochemistry

article Full Text OpenAlex

Short B-H…H-O Interactions in crystal structures – a short DFT Exploration using B3LYP+D4 and r2scan-3c

article Full Text OpenAlex

Growth, structural, optical, morphological, thermal, laser damage threshold and hardness properties of organic-inorganic crystal: L-argininium (Bis)dihydrogenarsenate

article Full Text OpenAlex

Chalcogen bond in organocatalysis: bonding characteristics, catalytic mechanisms, and catalyst design

article Full Text OpenAlex

Lattice Energy Partitions in Crystals of Flexible Molecules and the 40% Limit

article Full Text OpenAlex

Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials

article Full Text OpenAlex

Properties and Perspectives of Rb2Co(SO4)2(H2O)6 Tutton Crystal: A Combined Experimental-Theoretical Analysis

article Full Text OpenAlex

Solubility Measurement and Dynamic Simulation Analysis of the Brivaracetam Form A in 12 Pure Solvents

article Full Text OpenAlex

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 2889 FWCI414.43214349

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

review Full Text OpenAlex 480 FWCI227.58541117

Chiral Metal–Organic Frameworks

review Full Text OpenAlex 470 FWCI48.76259359

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

article Full Text OpenAlex 344 FWCI161.18628487

Mechanical properties and peculiarities of molecular crystals

review Full Text OpenAlex 305 FWCI191.39335701

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

review Full Text OpenAlex 285 FWCI136.64747732

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

review Full Text OpenAlex 283 FWCI41.03433133

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

article Full Text OpenAlex 254 FWCI31.24239497

Advancing mechanochemical synthesis by combining milling with different energy sources

review Full Text OpenAlex 236 FWCI112.10866977

Multiple hydrogen bonding driven supramolecular architectures and their biomedical applications

review Full Text OpenAlex 210 FWCI91.49386902