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QUANTITATIVE-DETERM...
QUANTITATIVE-DETERMINATION OF THE TOTAL LOCAL POLARITY (CHARGE SEPARATION) IN MOLECULES
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- BRINCK, T (författare)
- University of New Orleans
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MURRAY, JS (författare)
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POLITZER, P (författare)
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(creator_code:org_t)
- TAYLOR & FRANCIS LTD, 1992
- 1992
- Engelska.
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Ingår i: Molecular Physics. - : TAYLOR & FRANCIS LTD. - 0026-8976 .- 1362-3028. ; 76:3, s. 609-617
- Relaterad länk:
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https://urn.kb.se/re...
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visa fler...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- We introduce a polarity index-PI that is proposed as a measure of the charge separation in a molecule. PI can be viewed as the average deviation of the electrostatic potential on the surface of the molecule. It permits a quantitative assessment of total local polarity, even in a molecule that has zero dipole moment. In support of our formulation of PI, we show that it is related to an empirical polarity-polarizability parameter and also to the dielectric constant.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
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