Towards Multiscale Simulations of Carbon Nanotube Growth Process: A Density Functional Theory Study of Transition Metal Hydrides
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Publisher
Springer Berlin Heidelberg
Link
https://link.springer.com/content/pdf/10.1007/978-3-642-01970-8_76
Reference53 articles.
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3. Ding, F., Rosen, A., Bolton, K.: Molecular dynamics study of the catalyst particle size dependence on carbon nanotube growth. J. Chem. Phys. 121, 2775–2779 (2004)
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5. Kohn, W., Sham, L.J.: Self-Consistent Equations Including Exchange and Correlation Effects. Phys. Rev. 140, 1133 (1965)
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