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Questions related from Amrish Sharma
Dear All.... I want to calculate the spin multiplicity of the hybrid carbon nano structure. My complex contains 220 carbon atoms and 36 hydrogen atoms. please suggest me how can i calculate the...
02 October 2019 5,238 1 View
I want to know, how the stacking arrangement of graphene affect its stability ?
01 June 2019 4,656 3 View
heloo experts, I want to study the interaction between carbon nanostructures, for that i have planned to include vdw pseudos(vdw/DRSLL). When i run single point calculations over the relax...
13 December 2016 9,320 3 View
i am using SIESTA code but i am unable to understand how to predict DOS plots so Can any body explain how can i predict from DOS plot whether my optimized structure is mettalic or semiconducting...
24 May 2016 3,535 4 View
is C40 fullerene experimentally exsist ? and what are its parameteres like band gap, binding energy?
07 March 2016 7,139 1 View
