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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 ...
Formation and properties of selenium double-helices inside double-wall carbon nanotubes: experiment and theory
(2013)
We report the production of covalently bonded selenium double-helices within the narrow cavity inside double-wall carbon nanotubes. The double-helix structure, characterized by high-resolution transmission electron microscopy ...
A bonding study of cyclopentene (c-C5H8) adsorption on Ni(1 1 1) surface
(Elsevier Science, 2008-07)
The adsorption of cyclopentene (c-C5H8) on Ni(1 1 1) was studied using DFT and semiempirical calculations. Preferred site and geometry calculations were carried out considering a Ni(1 1 1) surface and a unit cell of 64-atoms. ...
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)