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Controlling factors determining the selective HSCN addition to double bonds and their application to the synthesis of 7-isothiocyano-7,8-alpha-dihydro-bisabolene.
(Soc Brasileira QuimicaSao PauloBrasil, 2001)
Ultrathin carbon nanotube with single, double, and triple bonds
(2012)
A metastable carbon nanotube with single, double, and triple bonds has been predicted from abinitio simulation. It results from the relaxation of an ideal carbon nanotube with chirality (2,1), without any potential barrier ...
Towards an intrinsic nucleofugality scale: The leaving group (LG) ability in CH(3)LG model system
(ELSEVIER, 2006-03-10)
For an important class of organic reactions in which a fragment of the reactants, the leaving group (LG) or nucleofuge (Z), is detached of the substrate bearing the bonding electron pair, the global electrophilicity index ...
REACTIVITY OF THE CARBON-CARBON DOUBLE BOND TOWARDS NUCLEOPHILIC ADDITIONS. A DFT ANALYSIS
(PERGAMON PRESS, 2004)
REACTIVITY OF THE CARBON-CARBON DOUBLE BOND TOWARDS NUCLEOPHILIC ADDITIONS. A DFT ANALYSIS
(PERGAMON PRESS, 2004)
Reactivity of the carbon-carbon double bond towards nucleophilic additions. A DFT analysis
(PERGAMON-ELSEVIER SCIENCE LTD, 2004-07-26)
The global and local electrophilicity indexes have been used to characterize the reactivity pattern of the C=C double bond towards nucleophilic addition reactions. A wide family of molecules including ketones, esters, ...
Effect of double or single bonding in C–H stretching signal propagation in organic molecules. A computational study
(Elsevier B.V., 2019)
© 2018The objective of this study is to evaluate vibrational energy propagation of a C–H stretching signal on unsaturated organic molecules and the effect of saturation in a specific site of those molecules using ab-initio ...
Asymmetrical vibrational energy propagation through double or single bonds of small organic molecules. An ab-initio molecular dynamics study
(Elsevier B.V., 2019)
The present study evaluates the vibrational energy propagation from an O[dbnd]C stretching through the double or single bonds of two small carboxamide molecules. The results show that double bonding facilitates vibrational ...