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Answer to Question #41659 in Organic Chemistry for Sandeep

Question #41659
any mathematical calculation to find out the diamond or graphite is a allotrope of carbon or any other allotropes.
Expert's answer
There are two ways to calculate the structures:
1. Semi-empirical methods, such as AM1, PM3 and others. These calculations are not precise, however they can help to make some qualitative conclusions. These calculations consume reasonable time for most of molecules and structures even on a slow computer.
2. Calculations ab initio ("from the beginning"). These calculations are precise, yet require very complex calculations, thus the geometry of most structures can be calculated only on computer cluster.

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Comments

Assignment Expert
13.05.14, 14:40

You should make the calculations to ensure that your model can exist.

sandeep
08.05.14, 18:21

sir i have not calculated any thing only i have design the model please check it sir thank you.

Assignment Expert
07.05.14, 12:58

Please provide the structure you have calculated. In general, the quantum chemical calculations give the local energy minimum, so your calculated structure is likely to exist.

sandeep
04.05.14, 14:45

thank you sir
sir I have made a 3d model in google sketchup so can you please check it that is this kind of carbor allotrope can exist or not.
and please also tell how to so you the model
thank you sir

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