Is benzene a nanotube?

Of course not, but I have input for benzene and I did the first tests of the electron density computation on this system. Before showing the results (Pretty figures!), I would like to tell you about the helical symmetry (something

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Nanotube-laboratory in a computer

I spent the first few weeks at Computing Centre of the Slovak Academy of Sciences getting familiar with the nanotube code. We actually changed the goal of the project a bit. The original plan was the further development of the

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Irén Simkó

Irén is a chemistry student from Budapest. She has just finished her masters at Eötvös Loránd University, and would like to continue her studies at the Hevesy György PhD School of Chemistry. Her field is theoretical chemistry and she wrote

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Electronic structure of nanotubes by utilizing the helical symmetry properties: The code optimization

Project reference: 1904 In calculations of nanotubes prevail methods based on a one-dimensional translational symmetry using a huge unit cell. A pseudo two-dimensional approach, when the inherent helical symmetry of general chirality nanotubes is exploited, has been limited to simple

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