نتایج جستجو برای: electronegativity

تعداد نتایج: 867  

2005
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: :Proceedings of the National Academy of Sciences of the United States of America 1985
S Shankar R G Parr

With electronegativity and hardness of an atom defined as 1/2(I + A) and 1/2(I - A), respectively, where I and A are the ionization potential and electron affinity, electronegativity difference and hardness sum are proposed as coordinates in structure stability diagrams. With these coordinates a successful topological classification of the crystal structures of octet and suboctet binary compoun...

Journal: :The Journal of antibiotics 1981
Y Shimauchi M Sakamoto K Hori T Ishikura J Lein

Concerning relationships between electronegativity and antimicrobial activity, studies on chloramphenicol derivatives were reported in 19562). Antimicrobial activity of PAD derivatives (Table 1) was estimated from the relative electronegativity of the substituents in the chloramphenicol studies (Note 1) but there was no linear relationship between them. Many studies have recently shown that che...

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

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 ...

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...

2009
Mihai V. Putz

The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum...

2006
Morrel H. Cohen Adam Wasserman

Chemical Reactivity Theory (CRT) contains reactivity indices defined as first and second derivatives of ground-state properties with respect to electron number such as the electronegativity and the hardness. This necessitates use of the Perdew, Parr, Levy, and Balduz (PPLB) version of noninteger density-functional theory (NIDFT) to provide a basis for CRT in DFT. However, the PPLB NIDFT yields ...

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