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The bond order itself is the number of electron pairs (covalent bonds) between two atoms. [2] For example, in diatomic nitrogen N≡N, the bond order between the two nitrogen atoms is 3 (triple bond). In acetylene H–C≡C–H, the bond order between the two carbon atoms is also 3, and the C–H bond order is 1 (single bond).
Simcenter Amesim is a multi-domain software that supports modeling a variety of physics domains (hydraulic, pneumatic, mechanic, electrical, thermal, electromechanical). It is based on the Bond graph theory. Under the Windows platform, Simcenter Amesim works with the free Gcc compiler, which is provided with
20-sim is a commercial modeling and simulation program for multi-domain dynamic systems, which is developed by Controllab. 20-sim allows models to be entered as equations, block diagrams, bond graphs and physical components. 20-sim is used for modeling complex multi-domain systems and for the development of control systems.
This is more than the naive π-bond order of (for a total bond order of ) that one might guess when simply considering the Kekulé structures and the usual definition of bond order in valence bond theory. The Hückel definition of bond order attempts to quantify any additional stabilization that the system enjoys resulting from delocalization.
The reactive empirical bond-order (REBO) model is a function for calculating the potential energy of covalent bonds and the interatomic force.In this model, the total potential energy of system is a sum of nearest-neighbour pair interactions which depend not only on the distance between atoms but also on their local atomic environment.
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Coot is free software, distributed under the GNU GPL. It is available from the Coot web site [4] originally at the University of York, and now at the MRC Laboratory of Molecular Biology. Pre-compiled binaries are also available for Linux and Windows from the web page and CCP4, and for Mac OS X through Fink and CCP4. Additional support is ...
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