Journal ArticleDOI
The dipole moment of the C—H bond
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This article is published in Transactions of The Faraday Society.The article was published on 1942-01-01. It has received 144 citations till now. The article focuses on the topics: Bond dipole moment & Transition dipole moment.read more
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Computing the arrows of chemical reactions
Pietro Vidossich,Agustí Lledós +1 more
TL;DR: The use of curved arrows to describe the movement of electrons in chemical reaction schemes is widespread in several areas of chemistry, especially organic chemistry as mentioned in this paper, and the drawing of such arrows is guided by chemical intuition on the nature of nucleophiles and electrophiles.
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Zur deutung von alkylgruppeneffekten bei der nitrierung von methyl-alkyl-hydrochinonäthern mit hilfe eines modifizierten eht-modells
TL;DR: In this article, a vorliegende Arbeit versucht zunachst einen kurzen Uberblick uber die Beeinflussung beatimmter Reaktionen durch Alkylsubstituenten variabler Lange und ihre Deutung zu geben.
A Reaxff-Based Molecular Dynamics Study of the Pyrolysis Mechanism of Hexamethyldisiloxane
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On simple, accurate calculations of atomic charges, bond properties and molecular energies
Sándor Fliszár,S. Chrétien +1 more
TL;DR: In this article, a simple bond energy scheme featuring the net charges of the bond-forming atoms is applied to enthalpy calculations by means of a variant of Del Re's method for saturated systems, based on rough semi-empirical approximations of simple MO-LCAO theory of localized bonds.
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Theoretische Begründung empirischer Schemata für die Berechnung von Dipolmomenten
TL;DR: In this paper, a quantenchemische interpretation of Grosen is presented, which in verschiedene empirische hergeleitete Rechenschemata fur Dipolmomente von Verbindungen einer homologen Reihe eingehen.