Results 31 to 40 of about 461,709 (265)
Further Validation of Quantum Crystallography Approaches
Molecules, 2021 Quantum crystallography is a fast-developing multidisciplinary area of crystallography. In this work, we analyse the influence of different charge density models (i.e., the multipole model (MM), Hirshfeld atom refinement (HAR), and the transferable ...
Monika Wanat +3 more
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Ab Initio Study of Octane Moiety Adsorption on H- and Cl-Functionalized Silicon Nanowires
Nanomaterials, 2022 Using first-principles calculations based on density functional theory, we investigated the effects of surface functionalization on the energetic and electronic properties of hydrogenated and chlorinated silicon nanowires oriented along the direction ...
Barbara Ferrucci +5 more
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Sliding charge-density waves in manganites [PDF]
Nature Materials, 2007 The so-called stripe phase of the manganites is an important example of the complex behaviour of metal oxides, and has long been interpreted as the localisation of charge at atomic sites. Here, we demonstrate via resistance measurements on La_{0.50}Ca_{0.50}MnO_3 that this state is in fact a prototypical charge density wave (CDW) which undergoes ...
Cox, Susan +4 more
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Preparation of Acrylamide-based Anionic Polyelectrolytes for Soil Establishment [PDF]
علوم و تکنولوژی پلیمر, 2012 Synthetic water soluble acrylamide-based polymers have wide range of ap-plications in the feld of soil establishment and non-desertifcation.
Ahmad Rabiee +2 more
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, 2014 Citation: 'charge density' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.C00988 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
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Charge densities and crystal engineering [PDF]
Acta Crystallographica Section A Foundations of Crystallography, 2011 This chapter discusses the ways in which the present techniques and tools of charge density analysis can contribute to the burgeoning field of crystal engineering. The principal focus is on use of theoretical and experimental charge densities, Hirshfeld surface analysis, as well as the calculation of energies of intermolecular interactions and their ...
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International Journal of Electrochemical Science, 2016 The structural and electronic properties of cation doping on the spinel LiMn2O4 were investigated by the first-principles theory. The calculated results indicate that due to the formation energy of LiAl0.5Mn1.5O4 is the smallest, the structure of LiAl0 ...
Xing-hua Liang +4 more
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Understanding the Role of Soft X-ray in Charging Solid-Film and Cellular Electrets
Nanomaterials, 2022 Solid-film electrets and cellular electrets are defined as promising insulating dielectric materials containing permanent electrostatic and polarizations. High-performance charging methods are critical for electret transducers.
Yue Feng +5 more
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Phosphatidylinositol 4‐kinase as a target of pathogens—friend or foe?
FEBS Letters, EarlyView.This graphical summary illustrates the roles of phosphatidylinositol 4‐kinases (PI4Ks). PI4Ks regulate key cellular processes and can be hijacked by pathogens, such as viruses, bacteria and parasites, to support their intracellular replication. Their dual role as essential host enzymes and pathogen cofactors makes them promising drug targets.
Ana C. Mendes +3 more
wiley +1 more source
GelsCellulose nanofibrils (CNFs) are particles with a high aspect ratio. Typically, chemically pre-treated CNFs (containing anionic or cationic charged groups) consist of long fibrils (up to 2 μm) with very low thickness (less than 10 nm). Derived from their
Luís Alves +5 more
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