Results 241 to 250 of about 31,813 (297)

Electronic Descriptors Governing Binding Energies of Bidentate Aromatic Ligands with Metal Cations: Insights from DFT and Statistical Analysis. [PDF]

J Phys Chem A
Zhang D, Patel M, Alexopoulos K, Karamalidis AK.   +3 more
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Quantum Theoretical, Chemo-Computational, and Comparative Molecular Coupling Studies of Two Enantiomeric Naphthoquinones, Alkannin and Shikonin, and Their Corresponding Indole Derivatives. [PDF]

Molecules
Rivera Espejel AL, Lira SB, Miranda Ruvalcaba R, Escobedo-González RG, Cuevas-Cruz M, Fajardo de la Rosa AA, Nieto-Álvarez DA, Martínez J, Nicolás-Vázquez MI.   +8 more
europepmc   +1 more source

Exploring the relative influence of atomic parameters on solid solution strengthening. [PDF]

Nat Commun
Oliveira PHF, Martins CLGP, Stumpf GC, Spadotto J, Pickering EJ, Botta WJ, Bolfarini C, Coury FG.   +7 more
europepmc   +1 more source

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Electronegativity—a perspective

Journal of Molecular Modeling, 2018
Electronegativity is a very useful concept but it is not a physical observable; it cannot be determined experimentally. Most practicing chemists view it as the electron-attracting power of an atom in a molecule. Various formulations of electronegativity have been proposed on this basis, and predictions made using different formulations generally agree ...
Peter, Politzer, Jane S, Murray
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ELECTRONEGATIVE ELECTRORETINOGRAM IN ACHROMATOPSIA

RETINAL Cases & Brief Reports, 2018
Purpose: To report novel electroretinographic findings in a genetically confirmed case of achromatopsia. Methods: A patient with a history of childhood nystagmus, photoaversion, and absent color vision was examined.
Craig S, Schallhorn, David B, Granet, Henry A, Ferreyra   +2 more
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Electronegativity and redox reactions

Physical Chemistry Chemical Physics, 2016
Using the maximum hardness principle, we show that the oxidation potential of a molecule increases as its electronegativity increases and also increases as its electronegativity in its oxidized state increases.
Ramón Alain, Miranda-Quintana, Marco, Martínez González, Paul W, Ayers   +2 more
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Ab initio calculations, electronegativity equalisation and group electronegativity

Journal of Chemical Sciences, 1988
A correspondence betweenab initio calculations, the principle of electronegativity equalisation and group electronegativity has been established within the framework of Mulliken population analysis. Using this we have calculated electronegativities of some 37 groups/atoms.
Dipankar Datta
exaly   +2 more sources

Physical Interpretation of the Electronegativity

Russian Journal of Organic Chemistry, 2002
An additivity scheme of electronegativities of univalent substituents has been proposed on the basis on the Van Vleck orbital model of valence states of atoms. The electronegativity of any organic or heteroelement-containing substituent can be calculated from the orbital electronegativities and hardnesses of atoms constituting that substituent.
Zueva E., Galkin V., Cherkasov A., Cherkasov R.   +3 more
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Electronegativity

The Journal of Chemical Physics, 1965
The concept of ``electronegativity'' is discussed and reviewed in the light of recent observed relationships between successive ionization potentials. A differentiation is made between atomic and molecular electronegativity and particular reference is made to the principle of equalization of molecular electronegativities in the process of forming a ...
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