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Author Topic: Bonding and Binding-reg  (Read 2989 times)

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Offline GJK

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Bonding and Binding-reg
« on: April 5, 2014, 21:04 »
Hi,

How to calculate the bond length,bond angle and binding enegy for a system consisting of GNR and other molecules adsorbed on GNR through chemisorption.
Kindly suggest formulas if possible.

How to convert the bond binding the molecule and GNR to covalent one.
Kind tips please

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Offline GJK

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Re: Bonding and Binding-reg
« Reply #1 on: April 9, 2014, 14:02 »
Quote from: GJK on April  5, 2014, 21:04
Hi,

How to calculate the bond length,bond angle and binding enegy for a system consisting of GNR and other molecules adsorbed on GNR through chemisorption.
Kindly suggest formulas if possible.

How to convert the bond binding the molecule and GNR to covalent one.
Kind tips please


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