Results 71 to 80 of about 10,690,430 (278)
Egyptian Journal of Petroleum, 2018 Density function theory (DFT) study on adsorptivity and corrosion inhibition performance of 4-mercapto-1-alkylpyridin-1-ium bromide (where R = C8, C10 and C12) on carbon steel in 1 M HCl solution was presented.
Elshafie A.M. Gad +2 more
doaj +1 more source
Magnetic Properties of Quantum Ferrimagnetic Spin Chains
, 1998 Magnetic susceptibilities of spin-$(S,s)$ ferrimagnetic Heisenberg chains are numerically investigated. It is argued how the ferromagnetic and antiferromagnetic features of quantum ferrimagnets are exhibited as functions of $(S,s)$.
A. Gleizes +37 more
core +1 more source
Advanced Science, EarlyView.This study constructs a dual‐scale Ag‐based catalyst on CeO2 nanorods via a facet‐guided strategy. This catalyst can induce a cascaded orbital hybridization effect, which synergistically optimizes oxygen vacancy stability, CO desorption kinetics, and charge transfer efficiency.
Youjia Wang +6 more
wiley +1 more source
Circuit formation and sensory perception in the mouse olfactory system
Frontiers in Neural CircuitsIn the mouse olfactory system, odor information is converted to a topographic map of activated glomeruli in the olfactory bulb (OB). Although the arrangement of glomeruli is genetically determined, the glomerular structure is plastic and can be modified ...
Kensaku Mori, Hitoshi Sakano
doaj +1 more source
Fukui function as correlation hole
Chemical Physics Letters, 2005 Abstract The Fukui Function concept of the theory of chemical reactivity is identified as the negative asymptotic exchange-correlation hole, when one electrons wanders far away from the rest of the molecule. The appropriate two-electron measures of the electron density responses for an electrophilic, nucleophilic, and radical attacks are proposed ...
openaire +2 more sources
Stage‐Specific Roles of Deep Eutectic Solvents in Recycling of Spent Lithium‐Ion Batteries
Advanced Energy Materials, EarlyView.Deep eutectic solvents (DESs) offer tunable acidity, redox, and coordination properties for selective recycling of spent lithium‐ion battery cathodes. Through co‐dissolution, single‐ and two‐metal separations, DESs enable sustainable recovery of critical metals for closed‐loop regeneration of battery‐grade materials, advancing a circular economy for ...
Jingxiu Wang +4 more
wiley +1 more source
Theoretical Study of the Molecular Complexes between Pyridyne and Acid Sites of Zeolites [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2018 The main interaction between pyridine and zeolites leads to form a hydrogen bond between the N atom of pyridine and OH groups of zeolites. The present work reports a theoretical study about the structural, vibrational and topological properties of the ...
Maryam Dehestani +2 more
doaj
A DFT study of the chemical reactivity of cimetidine A, C and D in the gas, H2O, MeOH and EtOH solvents [PDF]
Journal of the Serbian Chemical Society, 2017 % Fukui % DFT s KR nema In the present work, we have analyzed the chemical reactivity of cimetidine A, C and D in different solvents; through the evaluation of global and local DFT reactivity descriptors.
Mendoza Huizar Luis Humberto +4 more
doaj +1 more source
Annals of Gastroenterological Surgery, EarlyView.ABSTRACT Aim The National Clinical Database (NCD) of Japan is the largest nationwide registry, covering over 95% of surgeries in the country. This 2022 annual report summarizes the short‐term outcomes of gastroenterological surgeries and discusses trends and insights over the past decade.
Koshi Kumagai +19 more
wiley +1 more source
An Unbiased Survey for Molecular Clouds in the Southern Galactic Warp
, 2005 We have made an unbiased survey for molecular clouds in the Galactic Warp. This survey, covering an area of 56 square degrees at l = 252 deg to 266 deg and b = -5 deg to -1 deg, has revealed 70 molecular clouds, while only 6 clouds were previously known ...
Fukui, Y. +3 more
core +2 more sources