Suchergebnisse - "STACKING interactions"

In silico study of DNA mononucleotide self-assembly.

Autoren: Trapella, Mattia Bellini, Tommaso De Michele, Cristiano

Quelle: Journal of Chemical Physics. 10/7/2024, Vol. 161 Issue 13, p1-8. 8p.

Schlagwörter: *MONTE Carlo method, *STACKING interactions, *COMPUTER graphics, *POLYHEDRA, *AQUEOUS solutions

Crystal Structure of Iodinated Mesoionic Triphenylthiazol‐3‐ium‐4‐olates: Combination of Stacking and Halogen Bonding Interactions.

Autoren: Matsumoto, Shoji Suzuki, Shun Akazome, Motohiro

Quelle: ChemPlusChem. 11/10/2025, Vol. 90 Issue 11, p1-8. 8p.

Schlagwörter: *CRYSTAL structure, *STACKING interactions, *HALOGEN compounds, *THIAZOLE derivatives, *DENSITY functional theory, *IODINE compounds

Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2'-hydroxychalcones: insights from experimental and theoretical analysis.

Autoren: Arias Cassará, María Lucrecia Pérez, Hiram Davies, Lilian E. et al.

Quelle: CrystEngComm. 11/7/2025, Vol. 27 Issue 41, p6781-6796. 16p.

Schlagwörter: *HYDROGEN bonding, *STACKING interactions, *SPECTRUM analysis, *TOXICITY testing, *AB-initio calculations, *HYDROXYACETOPHENONES, *CRYSTALLOGRAPHY, *HALOGEN compounds

Fluxional Halogen Bonds Versus Interlayer Stacking – Theory Meets Experiment.

Autoren: Gao, Cai Yue Schmidt, Annika Wang, Ruimin et al.

Quelle: Chemistry - A European Journal. Nov2025, p1. 8p. 10 Illustrations.

Schlagwörter: *STACKING interactions, *PHASE transitions, *MATHEMATICAL models, *HALOGEN compounds, *ELECTRON density, *SUPRAMOLECULAR chemistry, *MOLECULAR interactions

Hydrothermal Modification of Activated Carbon Enhances Acetaminophen Adsorption: Experimental and Computational Evidence of π–π Interaction Dominance.

Autoren: Cortés-Cruz, Astrid G. Adame-Pereira, Marta Durán-Valle, Carlos J. et al.

Quelle: Molecules. Nov2025, Vol. 30 Issue 21, p4295. 23p.

Schlagwörter: *ACTIVATED carbon, *STACKING interactions, *KINETIC theory of matter, *PHYSISORPTION, *HYDROTHERMAL synthesis, *WATER purification, *ADSORPTION isotherms, *ORGANIC compounds removal (Sewage purification)

Label‐Free Detection of π‐Stacking Interactions During Tryptophan Self‐Assembling Into Amyloid‐Like Structures Using Surface‐Enhanced Raman Scattering.

Autoren: Cardozo, Gabriel Conishi Duarte, Evandro Luiz da Cunha, Antonio Rodrigues et al.

Quelle: Journal of Raman Spectroscopy. Oct2025, Vol. 56 Issue 10, p987-998. 12p.

Schlagwörter: *AMYLOID, *STACKING interactions, *MOLECULAR self-assembly, *HYDROGEN bonding, *PLASMONICS, *SERS spectroscopy, *MOLECULAR interactions, *SIGNAL detection

Influence of inter-layer interactions in transition metal dichalcogenides MX2 (M = Mo/W, X = S/Se) heterobilayers.

Autoren: Beniwal, Ravina Maroju, Suman Kalyan Leconte, Nicolas et al.

Quelle: Journal of Applied Physics; 7/21/2025, Vol. 138 Issue 3, p1-12, 12p

Schlagwörter: TRANSITION metal chalcogenides, HETEROSTRUCTURES, STRAINS & stresses (Mechanics), EXCITON theory, OPTICAL properties, STACKING interactions, ELECTRONIC materials, BAND gaps

The sulfur lone-pair⋯π interaction: The subtle dispersion features of the sulfur interactions in model complexes of disulfides with the heteroaromatic benzofuran.

Autoren: Wang, Liuting Li, Wenqin Xu, Yugao et al.

Quelle: Journal of Chemical Physics; 7/14/2025, Vol. 163 Issue 2, p1-7, 7p

Schlagwörter: DISULFIDES, BENZOFURAN, MOLECULAR rotation, COMPUTATIONAL chemistry, INTERMOLECULAR forces, STACKING interactions

π–π Stacking as Electron‐Transfer Channels in Hydrogen‐Bonded Organic Frameworks for Boosting Photocatalysis.

Autoren: Mei, Jian‐Hua Zeng, Ya‐Ru Gong, Yun‐Nan et al.

Quelle: Angewandte Chemie. 7/14/2025, Vol. 137 Issue 29, p1-6. 6p.

Schlagwörter: *PHOTOCATALYSIS, *STACKING interactions, *CLEAN energy, *MOLECULAR interactions, *HYDROGEN evolution reactions, *CHARGE exchange, *HYDROGEN bonding

Intermolecular π-stacking stabilization of a new high-M/L-ratio coordination motif for a dinuclear Fe(III) complex supported by a "salen-type" Schiff base derivative of o-xylylenediamine.

Autoren: Shutilov, Ilia D. Volodin, Pavel A. Ovsyannikov, Alexander S. et al.

Quelle: Dalton Transactions: An International Journal of Inorganic Chemistry. 7/14/2025, Vol. 54 Issue 26, p10222-10226. 5p.

Schlagwörter: *INTERMOLECULAR interactions, *STACKING interactions, *IRON chelates, *METAL complexes, *DIAMINES, *SCHIFF bases, *MOLECULAR self-assembly

Crystal structure and Hirshfeld surface analyses, crystal voids, interaction energy calculations and energy frameworks of (E)-2-[(pyren-1-ylmethyl-idene)amino]ethanol.

Autoren: Eltayeb, Naser E. Hökelek, Tuncer Lasri, Jamal

Quelle: Acta Crystallographica Section E: Crystallographic Communications. Jul2025, Vol. 81 Issue 7, p595-599. 10p.

Schlagwörter: *VOIDS (Crystallography), *STACKING interactions, *CRYSTAL structure, *CRYSTAL surfaces, *HYDROGEN analysis

Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole.

Autoren: Kinshakova, Ekaterina Torambetov, Batirbay Bharty, Manoj K. et al.

Quelle: Acta Crystallographica Section E: Crystallographic Communications. Jul2025, Vol. 81 Issue 7, p569-572. 7p.

Schlagwörter: *SURFACE analysis, *STACKING interactions, *CRYSTAL structure, *SURFACE interactions, *INTERMOLECULAR interactions

HB-CUFIX: Force field for accurate RNA simulations.

Autoren: Das, Akshaya Kumar Tuckerman, Mark E. Kirmizialtin, Serdal

Quelle: Journal of Chemical Physics; 5/28/2025, Vol. 162 Issue 20, p1-14, 14p

Schlagwörter: SMALL-angle X-ray scattering, RNA, NUCLEAR magnetic resonance, ENERGY levels (Quantum mechanics), STACKING interactions, X-ray scattering

Modulating vibrational energy redistribution in highly conjugated systems.

Autoren: Hassani, Majid Shaon, Pathick Halder Mallon, Christopher J. et al.

Quelle: Journal of Chemical Physics; 4/21/2025, Vol. 162 Issue 15, p1-12, 12p

Schlagwörter: VIBRATIONAL redistribution (Molecular physics), MOLECULAR electronics, NANOWIRES, CONJUGATED systems, STACKING interactions

Rediscovery of the Forgotten Middle Child: A Comprehensive Study on the Coordination Chemistry of Melam.

Autoren: Koller, Thaddäus J. Balzat, Lucas G. Blahusch, Jakob et al.

Quelle: European Journal of Inorganic Chemistry. 5/28/2025, Vol. 28 Issue 15, p1-9. 9p.

Schlagwörter: *COORDINATE covalent bond, *STACKING interactions, *HETEROGENEOUS catalysis, *CRYSTAL structure, *COPPER

Synthesis of Xylo‐nucleoside H‐Phosphinates and Insights into Their Conformational Preferences Within a Chimeric Duplex.

Autoren: Xu, Yuqing Reynders, Sten Coosemans, Frédérick et al.

Quelle: European Journal of Organic Chemistry. 5/23/2025, Vol. 28 Issue 18, p1-7. 7p.

Schlagwörter: *MOLECULAR dynamics, *STACKING interactions, *NUCLEIC acids, *METHYLENE group, *BASE pairs

Cyclo‐N9⁻: a Novel 5/6 Fused Polynitrogen Anion for High Energy Density Materials.

Autoren: Yuan, Xiaofeng Xu, Ze Gu, Haolin et al.

Quelle: Advanced Science. May2025, Vol. 12 Issue 19, p1-12. 12p.

Schlagwörter: *CHEMICAL bonds, *STACKING interactions, *IONIC interactions, *HEAT of formation, *ELECTRON distribution

One‐Step Directed Self‐Assembly of Molecular Closed Four‐Link Chains and Borromean Links.

Autoren: Shan, Wei‐Long Si, Nian Xu, Meng‐Ting et al.

Quelle: Angewandte Chemie International Edition. 5/12/2025, Vol. 64 Issue 20, p1-8. 8p.

Schlagwörter: *MOLECULAR shapes, *STACKING interactions, *RHODIUM, *MASS spectrometry, *IRIDIUM

Preparation of Peapod‐Like Nano‐Copolymers with Periodic Sequence via Polymerization‐Induced Morphology Differentiation and Fusion.

Autoren: Yin, De‐Peng Zhao, Xin‐Yue Cheng, Jia‐Min et al.

Quelle: Angewandte Chemie International Edition. 5/12/2025, Vol. 64 Issue 20, p1-8. 8p.

Schlagwörter: *STACKING interactions, *NANOPARTICLES, *COLLOIDS, *COPOLYMERIZATION, *SPHERES

Synthesis and crystal structure of 2-(2,4-dioxo-6-methylpyran-3-ylidene)-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.

Autoren: Faraj, Imane El Ghayati, Lhoussaine Blacque, Olivier et al.

Quelle: Acta Crystallographica Section E: Crystallographic Communications. May2025, Vol. 81 Issue 5, p381-384. 10p.

Schlagwörter: *STACKING interactions, *CRYSTAL structure, *CRYSTAL surfaces, *HYDROGEN bonding, *SURFACE analysis