Molecular Dynamics Simulation Study of the Influence of Cluster Geometry on Formation of C60 Fullerene Clusters in Aqueous Solution-Reference-Cited by-同舟云学术

Molecular Dynamics Simulation Study of the Influence of Cluster Geometry on Formation of C60 Fullerene Clusters in Aqueous Solution

Published:2008-01-15 Issue:2 Volume:4 Page:335-340
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kim Hojin¹,Bedrov Dmitry¹,Smith Grant D.¹

Affiliation:

1. Departments of Chemical Engineering and Materials Science and Engineering, 122 South Central Campus Drive Room 304, University of Utah, Salt Lake City, Utah 84112

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct700211y

Reference14 articles.

1. Repulsive solvent-induced interaction betweenC60fullerenes in water

2. A molecular-dynamics simulation study of solvent-induced repulsion between C60 fullerenes in water

3. H2, Ne, and N2 Energies of Encapsulation into C60 Evaluated with the MPWB1K Functional

4. Molecular Dynamics Simulation Study of the Role of Evenly Spaced Poly(ethylene oxide) Tethers on the Aggregation of C60 Fullerenes in Water

5. Solidlike-to-Liquidlike Transition in Small Clusters ofC60Molecules or Transition-Metal Atoms

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