Results 51 to 60 of about 31,813 (297)
Molecules, 2013 Assessing the molecular mechanism of a chemical-biological interaction and bonding stands as the ultimate goal of any modern quantitative structure-activity relationship (QSAR) study.
Mihai V. Putz, Nicoleta A. Dudaş
doaj +1 more source
Advanced Functional Materials, EarlyView.A systematic review is conducted to assess the influence of electrode architecture across micro‐ to mesoscopic length scales on electron‐transfer pathways in electrocatalysis. We discuss the structure‐activity relationships in electrocatalytic applications, including resource recovery and environmental remediation, and provide cost‐effective, efficient
Manshu Zhao +6 more
wiley +1 more source
Antibacterial mechanism of Xiuyan jade mineral waste as a natural inorganic antibacterial agent
Materials Research Express, 2023 The Xiuyan jade waste exhibits prominent antibacterial properties after mechanical activation; these properties can be further optimized through low-temperature annealing.
Jimei Wang, Xiaoyan Wang, Yang Yang
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Electronegativity effects and single covalent bond lengths of molecules in the gas phase
, 2014 This paper discusses in detail the calculation of internuclear distances of heteronuclear single bond covalent molecules in the gaseous state. It reviews briefly the effect of electronegativity in covalent bond length. A set of single bond covalent radii
Lang, Peter F. +2 more
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Chitin‐Derived Carbon‐Metal Functional Materials
Advanced Functional Materials, EarlyView.Functional carbon materials are synthesized from combination of biopolymer (chitin) and iron precursors. The resultant material exhibits superior surface area and adsorptive properties compared to carbon materials synthesized directly from pure chitin.
Herry Fang +7 more
wiley +1 more source
Carbon 1s Photoelectron Spectroscopy of Halomethanes. Effects of Electronegativity, Hardness, Charge Distribution, and Relaxation [PDF]
, 2004 Carbon 1s ionization energies have been measured for 12 halomethanes. These together with earlier measurements provide 27 compounds for investigating the relationship between core-ionization energies and the electronegativity and hardness of the halogens.
Saethre, Leif J +5 more
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Physics‐Grounded Materials Artificial Intelligence for Reliable Materials Discovery
Advanced Functional Materials, EarlyView.Physics‐Grounded Materials AI (PhysMat AI) integrates physical priors, descriptors, constraints, verification, and data infrastructure into a unified full‐stack framework, enabling reliable, interpretable, and autonomous AI‐driven materials discovery.
Yuhang Wang +3 more
wiley +1 more source
Quantum Chemical Parameters of TM-Pc Molecules: A Theoretical Investigation
Chemistry ProceedingsWe investigated quantum chemical parameters for single-molecule magnets using theoretical calculations using the density functional theory (DFT), which includes the Hubbard component (PBE+U).
Manel Mabrouk, Jacek A. Majewski
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O conceito de eletronegatividade na educação básica e no ensino superior
Química Nova, 2011 The goal of this study was to examine the means used by textbook authors to introduce, define, and explain the electronegativity concept in high school and introductory college chemistry textbooks.
Camila Maria Andrade dos Santos +2 more
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An FSGO based Electronegativity Scale invoking Electrophilicity Index
, 2022 Electronegativity is an important chemical construct that plays a pivotal role to explain several chemical, biochemical and physicochemical phenomena. The study of this periodic descriptor is still considered an active domain of research, and a number of
Saloni, null +9 more
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