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Ab initio Simulations of Chemical Reactions in Nanostructured Carbon Materials
Ab initio Simulations of Chemical Reactions in Nanostructured Carbon Materials
2011
Erik E. Santiso
Liping Huang
Milen K. Kostov
Aaron M. George
Keith E. Gubbins
Marco Buongiorno-Nardelli
Keywords:
Chemical reaction
Ab initio
Carbon
Inorganic chemistry
Chemistry
nanostructured carbon
Computational chemistry
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