Titlebook: Charge Distributions and Chemical Effects; A New Approach to th Sándor Fliszár Book 1983 Springer-Verlag New York Inc. 1983 Bindungsenergie

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https://doi.org/10.1007/978-3-642-55896-2eed, at this level the problem is not obscured by other forms of molecular energies, namely zero-point (ZPE) and thermal (..-..) energies, which cannot be regarded as truly additive properties. Full advantage was taken of these facts, and appropriate equations were derived which give access to atomi

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Lipid- und Lipoproteinstoffwechselout without explicit consideration of nonbonded Coulomb interactions. This approximation introduces an error similar to that encountered in the study of saturated hydrocarbons but, because of other uncertainties affecting the evaluation of olefinic hydrocarbons (namely, as regards their vibrational

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Ermittlung des Ern?hrungsstatush was not derived directly from theory is the absolute magnitude of the carbon net charge in ethane, .. = 35.1 me. This result is carried over in any calculation involving alkyl groups, e.g., in the study of ethylenic compounds and, in the present case, of selected ethers and carbonyl compounds. An

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A Modified Population Analysis,tical charges derived in a variety of different manners. Indeed, although theoretically deduced results cover a wide spectrum of numeral values (ranging from C.-H. to C.-H. situations) supposedly describing net charges of selected atoms, each individual theoretical method yields a set of results ref