October 1, 2005
Book Chapter

High Temperature Quantum Chemical Molecular Dynamics Simulations of Carbon Nanostructure Self-Assembly Processes

Abstract

Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced.

Revised: April 7, 2011 | Published: October 1, 2005

Citation

Irle S., G. Zheng, M. Elstner, and K. Morokuma. 2005. High Temperature Quantum Chemical Molecular Dynamics Simulations of Carbon Nanostructure Self-Assembly Processes. In Theory and Applications of Computational Chemistry, The First Forty Years, edited by CE Dykstra, G Frenking, KS Kim, and GE Scuseria. 875-889. St. Louis, Missouri:Elsevier B.V.