Atomic displacements due to spin – spin alternant hydrocarbons
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چکیده
We develop a theoretica ernant hydrocarbons. It atoms separated by two the bond dissociation en atoms in both open and dinger equation to stud
منابع مشابه
Atomic displacements due to spin–spin repulsion in conjugated alternant hydrocarbons
Article history: Received 1 February 2013 In final form 7 March 2013 Available online 18 March 2013 We develop a theoretical model to account for the spin-induced atomic displacements in conjugated alternant hydrocarbons. It appears to be responsible for an enlargement of the distance between pairs of atoms separated by two atoms and located at the end of linear polyenes. It also correlates ver...
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تاریخ انتشار 2013