Modeling Charge Transfer in Fullerene Collisions via Real-Time Electron Dynamics-Reference-Cited by-同舟云学术

Modeling Charge Transfer in Fullerene Collisions via Real-Time Electron Dynamics

Published:2012-05-23 Issue:11 Volume:3 Page:1536-1542
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Jakowski Jacek¹,Irle Stephan²,Sumpter Bobby G.³,Morokuma Keiji⁴⁵

Affiliation:

1. National Institute for Computational Sciences, Oak Ridge, Tennessee 37831, United States

2. Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan

3. Center for Nanophase Materials Sciences and Computer Science & Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

4. Cherry Emerson Center for Scientific Computing and Department of Chemistry, Emory University, 1515 Dickey Drive, Atlanta, Georgia 30322, United States

5. Fukui Institute for Fundamental Chemistry, Kyoto University, Sakyo, Kyoto 6006-8103, Japan

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jz3004377

Reference47 articles.

1. Unified Approach for Molecular Dynamics and Density-Functional Theory

2. Liouville–von Neumann molecular dynamics

3. Excitation and Fragmentation Mechanisms in Ion-Fullerene Collisions

4. Quantum Dynamics of Chemical Reactions

5. Fleming, G.; Ratner, M.Directing Matter and Energy: Five Challngs for Science and the Imagination.DoE Report; 2007.

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