نتایج جستجو برای: atomic electronegativity

تعداد نتایج: 91973  

Journal: :Jurnal Pendidikan IPA Indonesia 2021

Previous research has reported that many high-school and undergraduate students have difficulty explaining the relationship between polarity electronegativity even though they may be familiar with concept of polarity. This study aims to address these misconceptions using a leaflet assess its effectiveness questionnaires testing. A simple, colorful printable was produced distributed in Indonesi...

Journal: :Journal of Applied Physics 2012

Journal: :Physical Review Materials 2022

The actual mechanisms occurring at interfaces underlying the Dzyaloshinskii-Moriya interaction (DMI) remain a question in nanomagnetism. In this study, we investigate origin of interfacial DMI, aiming estimating how independent DMI contributions two FM layer are and what their relative weight effective amplitude is. To aim, explore correlation between metal properties, namely, atomic number, el...

1999
Jack DeRuiter

Induction or the inductive effect of an atom or functional group is a function of that groups 1). electronegativity, 2). bonding order and charge and 3). position within a structure. Inductive effects refer to those electronic effects of an atom or functional group can contribute through single bonds such as saturated (sp) carbon atoms! This is very different from resonance effects discussed la...

Journal: :The journal of physical chemistry. A 2012
Pratim Kumar Chattaraj Santanab Giri Soma Duley

In the literature, popular electronic structure principles regarding electronegativity, chemical hardness and electrophilicity concepts are available. It is undeniable that the equalization principles related to reactivity indexes such as electronegativity, hardness, and electrophilicity have been widely used to calculate the partial charges of atoms in a molecule. It is apparent that all such ...

2005
Chang Q. Sun

The electronic processes of Cu(Ag, V, Rh)(0 0 1) surface oxidation are comparatively analyzed based on the recent ‘chemical bond–valence band–potential barrier’ (BBB) correlation mechanism [C.Q. Sun, Prog. Mater. Sci. 48, 521–685 (2003)], which allows reaction formulae for all the observed phases with identification of individual atomic valence and the binding kinetics at the surfaces with the ...

2005
Sorana BOLBOACĂ Lorentz JÄNTSCHI

The antituberculotic activity of some polyhydroxyxanthones was estimated using the Molecular Descriptors Family on Structure Activity Relationships methodology. From a total number of 298110 real and distinct calculated descriptors, 94843 were significantly different and entered into multiple linear regression analysis. The best performing bi-varied model was obtained by use of all polyhydroxyx...

2017
Martin Dahlqvist Jun Lu Rahele Meshkian Quanzheng Tao Lars Hultman Johanna Rosen

The enigma of MAX phases and their hybrids prevails. We probe transition metal (M) alloying in MAX phases for metal size, electronegativity, and electron configuration, and discover ordering in these MAX hybrids, namely, (V2/3Zr1/3)2AlC and (Mo2/3Y1/3)2AlC. Predictive theory and verifying materials synthesis, including a judicious choice of alloying M from groups III to VI and periods 4 and 5, ...

2017
Andrew R. Gibson Timo Gans

The charged particle dynamics in low-pressure oxygen plasmas excited by odd harmonic dual frequency waveforms (low frequency of 13.56 MHz and high frequency of 40.68 MHz) are investigated using a one-dimensional numerical simulation in regimes of both low and high electronegativity. In the low electronegativity regime, the time and space averaged electron and negative ion densities are approxim...

Journal: :npj computational materials 2021

Abstract We use machine learning tools for the design and discovery of ABO 3 -type perovskite oxides various energy applications, using over 7000 data points from literature. demonstrate a robust framework efficient accurate prediction total conductivity perovskites their classification based on type charge carrier at different conditions temperature environment. After evaluating set >100 fe...

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