Solvatochromic Analysis of Partition Coefficients in the o-Nitrophenyl Octyl Ether (o-NPOE)/Water System
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The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...
Here, we present new cryogenic infrared spectra of the (Imidazole) H-n(+) (n=1,2,3) ions. The data was obtained using helium tagging infrared predissociation spectroscopy. The new results were compared with the data obtained by Gerardi et al. (Chem. Phys. ...
Non-covalent interactions are ubiquitous in nature. The diversity and functionality of these interactions are employed by nature as a universal tool for building the molecular mechanism of life. Although weak, these interactions play a key role in both for ...
Ultra-High-Performance Fiber-Reinforced Cementitious Composite (UHPFRC) is becoming popular in designing lightweight and durable structures. UHPFRC structural elements remain crack-free and waterproof under service conditions, significantly improving durab ...
Energy piles are shallow geothermal systems integrated into structures already required for structural functions of civil works that provide both geothermal energy supply and structural support to the built environments. This research work is driven by the ...
In recent years, there has been increasing interest in the use of rectangular barrette foundations for the structural support and energy supply of tall buildings when circular piles become inefficient or uneconomical. In such applications, so-called energy ...
Structural designers’ efforts to reduce environmental impacts traditionally consist of developing systems that minimise material quantities or use low-impact materials. A third strategy is currently (re)emerging: the reuse of structural components over mul ...
The role of halide substitution in a lead-free 2D hybrid perovskite is investigated on the BZA(2)SnX(4) (BZA = benzylammonium; X = Cl, Br and I) system, by reporting the synthesis and the structural analysis by means of single-crystal X-ray diffraction dat ...
ROYAL SOC CHEMISTRY2020
Fabrication of bench-stable radical ions under ambient conditions is of utmost significance from the perspective of materials and structural (solid-state) chemistry. Two exceptionally stable benzotriazinyl radical cationic salts of 1-phenyl-3(phenylamino)- ...
2020
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The tremendous isomeric diversity of carbohydrates enables a wide range of their biological functions but makes the identification and study of these molecules difficult. We investigated the ability of intermolecular interactions to communicate structural ...